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PubMedDate not supplied

[Halogenated by-products of chlorination in tap water].

OBJECTIVE: The presence of trihalomethanes in the water systems of several Spanish cities has been demonstrated. The aim of this study was to analyze trihalomethane concentrations in the water provided for human consumption in the city of Barcelona. METHODS: We analyzed 151 water samples collected in 1998. The analyses were performed in the Public Health Laboratory of Barcelona using the purge-and-trap method and subsequent determination by gas chromatography and mass spectrometry. The results are presented according to the source of the water: the rivers of Llobregat or Ter, or a mixture of these. RESULTS: Trihalomethane concentrations in the water from Ter were relatively low, with a predominance of chloroform and bromodichloromethane, while concentrations in the water from Llobregat were much higher, with a predominance of bromoform and dibromochloromethane. Mixed water showed intermediate concentrations. The total concentrations reached in the water from Llobregat were above 100 microg/l. CONCLUSIONS: The results show the need to continue reducing organic pollution and halogenated compounds in the water used for human consumption in Barcelona.

Chlorine↗
PubMed1996

Survival improvement in anaplastic astrocytoma, combining external radiation with halogenated pyrimidines: final report of RTOG 86-12, Phase I-II study.

PURPOSE: This study evaluated the toxicity and tumor efficacy of the halopyrimidine IUdR as a chemical modifier of radiation response in patients with malignant glioma. The preliminary results published in 1993 demonstrated no real advantage in the group of patients with glioblastoma. However, a benefit appeared to be evolving in the group of patients with Anaplastic Astrocytoma (AA). We are now presenting the results on the long-term follow-up of patients with AA. METHODS AND MATERIALS: Between August 1987 and October 1991, 79 patients were entered in a prospective study with newly diagnosed malignant glioma. Twenty-one of 79 were AA. The study was designed to have a fixed dose of radiation consisting of 60.16 Gy in 32 fractions in 6.5 weeks but varying the dose schedule of IUdR, delivered in a continuous intravenous infusion of long (96 h) or short (48 and 24 h) duration, every week for the 6.5 weeks of radiation treatment. RESULTS: The last AA patient was entered in March 1991. Ninety-five percent of the AA patients were under 59 years of age and 86% had a Karnofsky score 80. Thirty-eight percent had a tumor diameter of less than 5 cm and 52% had a tumor diameter between 5-10 cm. Seventy-six percent had partial or total tumor resection. The toxicity of this treatment was acceptable and has already been published elsewhere. At the time of this report, 14 out of 21 patients with AA are dead. The median survival, calculated from the Kaplan-Meier, is 3.2 years. Thirty-three percent of the patients have survived 5 years. These results compare favorably with the best results reported in the literature with postoperative external radiation plus chemotherapy, median survival time (MST) of 3 years, and previous Radiation Therapy Oncology Group (RTOG) experience with radiation alone, MST of 2 years. CONCLUSIONS: Our findings in patients with AA corroborate the improved therapeutic results published recently when combining external radiation with "long" infusion of i.v. BUdR and indicate the need to proceed with randomized Phase III studies utilizing halogenated pyrimidines and radiation. One such study has already been activated, RTOG # 94-04.

Adolescent↗
PubMed1997

Hyperthermia and incorporation of halogenated pyrimidines: radiosensitization in cultured rodent and human tumor cells.

PURPOSE: To investigate the possible benefit of hyperthermia (HT) in combination with radiosensitization by halogenated pyrimidines (HPs) in rodent as well as in human tumor cells. METHODS AND MATERIALS: Exponentially growing rodent cells, radiosensitive R-1 and MOS cells and radioresistant RUC-II and V79 cells, and human SW1573 cells, were exposed to 0, 1, 2, and 4 microM of chloro- (CldUrd), bromo- (BrdUrd), or iodo-deoxyuridine (IdUrd) in the culture medium. Survival after irradiation with gamma-rays from a 137Cs source and/or hyperthermic treatment (HT, 60 min at 42 degrees C) was determined by clonogenic assay. Linear-quadratic analyses of the radiation survival curves were performed to assess sensitization in the dose range 1 to 3 Gy relevant to radiotherapy. RESULTS: The incorporation of HPs sensitized all cell lines to HT and resulted in radiosensitization dependent on the percentage of thymidine replacement. At equal levels of thymidine replacement, IdUrd was the most potent radiosensitizer. HT further increased radiation-induced lethality of cells that had incorporated HPs. Linear-quadratic analyses showed that HT further increased the linear parameter of the LQ formula while the quadratic parameter was not significantly changed. CONCLUSION: The combination of HT and HPs act additively in increasing the radiosensitivity of rodent tumor cell lines with varying radiosensitivities as well as of a human tumor cell line. In particular, the ratio of the linear parameter to the quadratic parameter, relevant for fractionation effects in radiotherapy, was increased.

Animals↗
PubMed1992

[Effects of halogenated anesthetics on splanchnic hemodynamic in normo- and hypovolemic cirrhotic rats].

The effects of 1 MAC of either halothane, enflurane or isoflurane on splanchnic haemodynamics were studied in cirrhotic rats that were either normovolaemic or hypovolaemic from haemorrhage. A group of conscious rats acted as the control group. Bile duct ligation had been carried out in all the rats four weeks previously to induce cirrhosis. At the time of the study, all the rats were anaesthetized with ether for catheterization of the left femoral artery and vein, and the left ventricle via the right carotid. The control group was allowed to awake. When the other rats started to recover, they were artificially ventilated with room air and 1 MAC of the halogenated agent. Heart rate and mean arterial blood pressure were monitored continuously. Once the animals had remained steady for one hour, 1.25 ml of blood for 100 g body weight was removed over a 10 min period. PaO2, PaCO2, arterial pH, heart rate, mean arterial blood pressure, cardiac index and regional blood flows (RBF) were measured before, and thirty minutes after the haemorrhage. Cardiac output and RBF were measured using the radioactive-labelled microsphere method. Only 32 animals were finally included, eight in each group. Splanchnic, portal and hepatic arterial blood flows were similar in conscious rats and in those receiving isoflurane or halothane, and were higher than in those receiving enflurane. The lowest splanchnic and portal venous blood flows were found in those rats receiving enflurane. After haemorrhage, these RBF decreased significantly in all groups except in the enflurane group.(ABSTRACT TRUNCATED AT 250 WORDS)

Anesthesia, Inhalation↗
PubMed1992

[Desflurane (I 653) and sevoflurane: halogenated anesthetics of the future?].

Sevoflurane is an halogenated methyl isopropyl ether. It is potent, non explosive and non flammable. It reacts with soda lime to form traces of a related ether which has not been shown to have any toxic effect on animals chronically exposed to it in a closed system. Induction of anaesthesia with sevoflurane is rapid and smooth, as predicted by a blood/gas partition coefficient of about 0.6 and an acceptable odour which allows the use of concentrations of up to 10%. Its MAC has been reported to vary between 1.7 and 2.3 vol %. Sevoflurane causes dose-dependent cardiovascular and respiratory depression. Its effect on the cerebral circulation is similar to that of isoflurane. The extent of biotransformation is similar to that of enflurane, but its low solubility and rapid elimination confine this to the period of inhalation. No toxic effects on the kidneys, liver and haematopoietic system have been found. Desflurane is a fluorinated methyl ether, structurally very similar to isoflurane. It is non flammable and non explosive at clinical concentrations. It is more stable in the presence of soda lime than any of the volatile anaesthetic agents available. This agent must be delivered with a thermostated vaporizer within a closed circle system, as its boiling point is 23.5 degrees C. Desflurane is less potent than isoflurane. Its MAC has been estimated to be about 7.2 vol % in man. Desflurane did not lead to any liver, lung or kidney injury in laboratory rats, even during hypoxia and enzyme induction. Desflurane undergoes little biotransformation, although the presence of volatile metabolites or covalent tissue-bound products cannot be excluded.(ABSTRACT TRUNCATED AT 250 WORDS)

Anesthesia, Inhalation↗
PubMedDate not supplied

Formation of halogenated aryl-polyene (xanthomonadin) pigments by the type and other yellow-pigmented strains of Xanthomonas maltophilia.

Based upon visible electronic absorption spectra and mass spectra, yellow-pigmented strains of Xanthomonas maltophilia, including the type strain (ICPB 2648-67 = ATCC 13637) of this species, were shown to produce aryl-polyene (xanthomonadin) pigments. These pigments, which usually occurred in very small quantities, were isolated and studied as isobutyl derivatives. The most common X. maltophilia pigment (Pigment 1), which occurred in 8 of the 12 yellow-pigmented strains examined, was shown to be a monochlorinated aryl-hexaene, molecular ion (M+) 384, with the empirical formula C23H25O3Cl. Pigment 3, M+ 376, which was found as the major pigment in one strain of X. maltophilia and as a minor component in two other strains, probably is the same non-halogenated aryl-heptaene reported previously in Xanthomonas populi and X. juglandis. Although all of these X. maltophilia strains originated from medical rather than phytopathogenic environments, the occurrence of these xanthomonadin pigments in non-phytopathogenic strains emphasizes the chemotaxonomic significance of these aryl-polyene pigments in the genus Xanthomonas.

Pigments, Biological↗
PubMed2002

Metal-independent production of hydroxyl radicals by halogenated quinones and hydrogen peroxide: an ESR spin trapping study.

The metal-independent production of hydroxyl radicals (*OH) from H(2)O(2) and tetrachloro-1,4-benzoquinone (TCBQ), a carcinogenic metabolite of the widely used wood-preservative pentachlorophenol, was studied by electron spin resonance methods. When incubated with the spin trapping agent 5,5-dimethyl-1-pyrroline N-oxide (DMPO), TCBQ and H(2)O(2) produced the DMPO/*OH adduct. The formation of DMPO/*OH was markedly inhibited by the *OH scavenging agents dimethyl sulfoxide (DMSO), ethanol, formate, and azide, with the concomitant formation of the characteristic DMPO spin trapping adducts with *CH(3), *CH(CH(3))OH, *COO(-), and *N(3), respectively. The formation of DMPO/*OH and DMPO/*CH(3) from TCBQ and H(2)O(2) in the absence and presence, respectively, of DMSO was inhibited by the trihydroxamate compound desferrioxamine, accompanied by the formation of the desferrioxamine-nitroxide radical. In contrast, DMPO/*OH and DMPO/*CH(3) formation from TCBQ and H(2)O(2) was not affected by the nonhydroxamate iron chelators bathophenanthroline disulfonate, ferrozine, and ferene, as well as the copper-specific chelator bathocuproine disulfonate. A comparative study with ferrous iron and H(2)O(2), the classic Fenton system, strongly supports our conclusion that *OH is produced by TCBQ and H(2)O(2) through a metal-independent mechanism. Metal-independent production of *OH from H(2)O(2) was also observed with several other halogenated quinones.

Chelating Agents↗
PubMed2000

Two glycolipids increase in the bioremediation of halogenated aromatic compounds.

Two bacterial glycolipids were applied for the bioremediation of mono-halogenated aromatic compounds in soil. 4-Chloro-1-naphthol (CN) and 3-chlorodiphenylamine (CDA) were rinsed from a polluted soil sample using a biosurfactant, rhamnolipid. Deemulsification by pH adjustment to 4.0 resulted in about 90% recovery of CN and CDA in an organic solvent fraction which was finally solidified by evaporation. For the bioremediation of the aqueous phase, a bacterial glycoglycerolipid, di-O-12-methyl-tetradecanoyl-3-O-beta-D-galactopyranosyl-sn-glycerol was used to decrease the level of cellular damage induced by the effects of oxygen radical of the intermediate metabolites of CN and CDA. The glycoglycerolipid at a concentration of 100 mg/l increased the cellular resistance to those CN and CDA approximately three fold. Instead of the addition of purified glycoglycerolipid, a 0.1%-volume addition of the culture supernatant of a glycoglycerolipid producer to active sludge was also effective.

Journal Article↗
PubMedDate not supplied

General method to label antisense oligonucleotides with radioactive halogens for pharmacological and imaging studies.

Evaluation of oligonucleotides for biomedical applications requires different in vivo and in vitro approaches (pharmacokinetics, biodistribution, macro- and microimaging, metabolism,.), that are performed with different radioisotopes according to the temporal and spatial resolution needed. A method to introduce radioactive isotopes of halogens (fluorine, bromine, and iodine) in a small and stable molecule has been developed. Radiosynthons can then be conjugated with any given oligonucleotide in one step to create the appropriate radiotracer. This general radiolabeling procedure for oligonucleotides is efficient to synthesize (18)F-, (76)Br-, and (125)I-oligonucleotides for biological needs. Applications of the method to biodistribution, metabolism, in vivo and ex vivo imaging of (125)I- and (18)F-labeled oligonucleotides are reported.

Animals↗
PubMed1993

Specificity of 4-chlorobenzoyl coenzyme A dehalogenase catalyzed dehalogenation of halogenated aromatics.

Steady-state and transient kinetic techniques were used to evaluate the efficiency of 4-chlorobenzoyl coenzyme A (4-CBA-CoA) turnover catalyzed by 4-CBA-CoA dehalogenase from Pseudomonas sp. CBS-3. The kcat for a single turnover on the enzyme was found to be 2 s-1, while that for multiple turnovers was found to be 0.6 s-1. Catalysis rather than product release was judged to be rate limiting. Comparison of the rates of turnover of 4-bromobenzoyl-CoA (1.4 s-1), 4-iodobenzoyl-CoA (1.1 s-1), and 4-fluorobenzoyl-CoA (8 x 10(-6) s-1) indicated that cleavage of the carbon-halogen bond occurs in the rate-limiting transition state of the reaction. Structure-activity measurements made with 4-CBA-CoA analogs bearing electron-donating or -withdrawing substituents at C(2) or C(3) suggested the importance of steric/solvation effects on the enzymatic reaction and failed to provide insight into the nature of the reaction intermediate. The inhibition constants measured for benzoyl-CoA (72 microM), CoA (140 microM), and 4-chlorobenzoate (21 mM) compared to the Km measured for 4-CBA-CoA (4 microM) suggest the dominant role played by the CoA moiety in substrate anchoring.

Acyl Coenzyme A↗
PubMed2001

Xenon and halogenated alkanes track putative substrate binding cavities in the soluble methane monooxygenase hydroxylase.

To investigate the role of protein cavities in facilitating movement of the substrates, methane and dioxygen, in the soluble methane monooxygenase hydroxylase (MMOH), we determined the X-ray structures of MMOH from Methylococcus capsulatus (Bath) cocrystallized with dibromomethane or iodoethane, or by using crystals pressurized with xenon gas. The halogenated alkanes bind in two cavities within the alpha-subunit that extend from one surface of the protein to the buried dinuclear iron active site. Two additional binding sites were located in the beta-subunit. Pressurization of two crystal forms of MMOH with xenon resulted in the identification of six binding sites located exclusively in the alpha-subunit. These results indicate that hydrophobic species bind preferentially in preexisting cavities in MMOH and support the hypothesis that such cavities may play a functional role in sequestering and enhancing the availability of the physiological substrates for reaction at the active site.

Alkanes↗
PubMedDate not supplied

Boiling points of halogenated aliphatic compounds: a quantitative structure-property relationship for prediction and validation.

Halogenated aliphatic compounds have many technical uses, but substances within this group are also ubiquitous environmental pollutants that can affect the ozone layer and contribute to global warming. The establishment of quantitative structure-property relationships is of interest not only to fill in gaps in the available database but also to validate experimental data already acquired. The three-dimensional structures of 240 compounds were modeled with molecular mechanics prior to the generation of empirical descriptors. Two bilinear projection methods, principal component analysis (PCA) and partial-least-squares regression (PLSR), were used to identify outliers. PLSR was subsequently used to build a multivariate calibration model by extracting the latent variables that describe most of the covariation between the molecular structure and the boiling point. Boiling points were also estimated with an extension of the group contribution method of Stein and Brown.

Journal Article↗
PubMed2001

Determination and mass spectrometric investigation of a new mixed halogenated persistent component in fish and seal.

An unknown component that caused an intense signal in sample extracts of fish tissue was enriched and investigated using a variety of mass spectrometric techniques coupled to gas chromatographic separation. With the help of electron capture negative ion mass spectrometry (ECNI-MS) and electron impact mass spectrometry (EI-MS) it was established that the component carries 2Br and 3Cl atoms and forms a molecular ion at m/z 396. A concentrated solution of this mixed halogenated compound (MHC-1) was investigated by gas chromatography interfaced to electron impact high-resolution mass spectrometry (GC/EI-HRMS). Using full scan and SIM techniques, the molecular formula of MHC-1 was established to be C10H13Br2Cl3. This points toward MHC-1 having a monoterpene backbone. No chemical with this molecular formula has been synthesized, but two components with this composition have been earlier isolated from marine algae.

Alkenes↗
PubMed2003

Plasma-associated halogenated phenolic contaminants in benthic and pelagic fish species from the Detroit River.

Halogenated phenolic contaminants (HPCs), polychlorinated biphenyls (PCBs), and other organochlorine (OC) contaminants (DDTs, chlordanes, HCH, and octachlorostyrene (OCS)) were determined (ng/g, wet wt basis) in the blood plasma of 6 piscivorous/pelagic- and 7 benthic-feeding fish species from the Detroit River. Seven to twelve hydroxylated (OH) PCB congeners with pentachloro- to nonachloro-substitution, pentachlorophenol (PCP) and 4-OH-heptachlorostyrene (4-OH-HpCS), as well as a number of other unidentified HPCs, were detected in all the fish species studied. The concentrations of sigma-OH-PCB (0.57-129.5 ng/ g), 4-OH-HpCS (0.02-0.31 ng/g), and PCP (0.05-3.42 ng/ g) in comparison to other major polychlorinated contaminants (sigma-PCB (10.4-909.0 ng/g), sigma-chlordane (0.72-8.68 ng/g), sigma-DDT (2.10-66.57 ng/g), and sigma-HCH (0.04-0.84 ng/g)) demonstrate the importance of HPCs, especially OH-PCBs, as plasma-associated contaminants. OH-PCBs are most likely metabolites of PCBs, and 4-OH-HpCS is a likely metabolite of OCS. Our findings indicate that metabolic biotransformation is a factor in the bioaccumulation, pharmacokinetics, and fate of OCS and highly chlorinated PCB congeners that are generally more recalcitrant in fish. Target tissue exposure to circulating OH-PCBs was variable, and thus potential OH-PCB-mediated toxicological activity and effects (e.g., endocrine-related) and health risks are different among the fish species.

Animals↗
PubMed2000

Weakly coordinating nature of a carborane cage bearing different halogen atoms. Synthesis and structural characterization of icosahedral mixed halocarborane anions, 1-H-CB11Y5X6- (X, Y = Cl, Br, I).

Mixed halocarborane anions, 1-H-CB11Y5X6- (X, Y = Cl, Br, I), have been prepared by treatment of [Me3NH][1-H-CB11H5X6] (X = Cl, Br, I) with proper halogenating reagents at 180-220 degrees C in a sealed tube in high yield. These new anions are fully characterized by 1H, 13C, and 11B NMR, IR, and negative-ion MALDI MS spectroscopy. Some are further confirmed by single-crystal X-ray analyses. The weakly coordinating nature of these anions is probed by 29Si chemical shifts of the resulting Pri3Si(1-H-CB11Y5X6) compounds. The results suggest that the coordinating ability of these anions is mainly dependent on the substituents at 7-12 positions (namely, X atoms), and the contribution from the upper belt substituents Y is relatively small. These suggestions are consistent with the results obtained from the structural study of silver salts of mixed halo- and perhalocarborane anions.

Journal Article↗
PubMed2001

Syntheses of chromium pentacarbonyl derivatives of arsenic(V) and antimony(V). contrasting chemical reactivity with organic halogen derivatives.

We have synthesized a new series of chromium-group 15 dihydride and hydride complexes [H(2)As(Cr(CO)(5))(2)](-) (1) and [HE(Cr(CO)(5))(3)](2)(-) (E = As, 2a; E = Sb, 2b), which represent the first examples of group 6 complexes containing E-H fragments. The contrasting chemical reactivity of 2a and 2b with organic halogen derivatives is demonstrated. The reaction of 2a with RBr (R = PhCH(2), HC triple bond CCH(2)) produces the RX addition products [(R)(Br)As(Cr(CO)(5))(2)](-) (R = PhCH(2), 3; R = C(3)H(3), 4), while the treatment of 2b with RX (RX = PhCH(2)Br or HC triple bond CCH(2)Br, CH(3)(CH(2))(5)C(O)Cl) forms the halo-substituted complexes [XSb(Cr(CO)(5))(3)](2-) (X = Br, 5; X = Cl, 6). Moreover, the dihaloantimony complexes [XX'Sb(Cr(CO)(5))(2)](-) can be obtained from the reaction of 2b with the appropriate organic halides. In this study, a series of organoarsenic and antimony chromium carbonyl complexes have been synthesized and structurally characterized and the role of the main group on the formation of the resultant complexes is also discussed.

Journal Article↗
PubMed2005

Carbon-halogen bond activation mechanism by copper(I) complexes of (2-pyridyl)alkylamine ligands.

The reaction of p-substituted benzyl halides ((Y)BnX; X = Cl, Br, and I; Y = p-substituent, OMe, t-Bu, Me, H, F, Cl, and NO(2)) and copper(I) complexes supported by a series of (2-pyridyl)alkylamine ligands has been investigated to shed light on the mechanism of copper(I) complex mediated carbon-halogen bond activation, including ligand effects on the redox reactivity of copper(I) complexes which are relevant to the chemistry. For both the tridentate ligand (Phe)L(Pym2) [N,N-bis(2-pyridylmethyl)-2-phenylethylamine] and tetradentate ligand TMPA [tris(2-pyridylmethyl)amine] complexes, the C-C coupling reaction of benzyl halides proceeded smoothly to give corresponding 1,2-diphenylethane derivatives and copper(II)-halide complex products. Kinetic analysis revealed that the reaction obeys second-order kinetics both on the copper complex and the substrate; rate = k[Cu](2)[(Y)BnX](2). A reaction mechanism involving a dinuclear copper(III)-halide organometallic intermediate is proposed, on the basis of the kinetic results, including observed electronic effects of p-substituents (Hammett plot) and the rate dependence on the BDE (bond dissociation energy) of the C-X bond, as well as the ligand effects.

Journal Article↗
PubMed1996

Intermolecular Ferromagnetic and Antiferromagnetic Interactions in Halogen-Bridged Copper(I) Imino Nitroxides: Crystal Structures and Magnetic Properties of [Cu(I)(&mgr;-X)(imino nitroxide)](2) (X = I or Br).

Reaction of CuI or CuBr with some imino nitroxides in methanol gave the halogen bridged dinuclear Cu(I) complexes [Cu(&mgr;-I)(impy)](2) (1), [Cu(&mgr;-I)(immepy)](2) (2), [Cu(&mgr;-Br)(immepy)](2) (3), and [Cu(&mgr;-Br)(imph-NO(2))](2) (4), respectively (impy = 2-(2'-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxyl, immepy = 2-(6'-methyl-2'-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxyl, imph-NO(2) = 2-(4'-nitrophenyl)-4,4,5,5-tetramethyl-4,6-dihydro-1H-imidazolyl-1-oxyl). Crystal structures and magnetic properties have been studied. Complexes 1-4 have dimeric structures where two copper ions are doubly bridged by halide ions in a &mgr;(2) fashion. In 1-3, each copper ion is tetrahedral with a bidentate imino nitroxide and two halide ions, and the two copper ions are separated by 2.592(2), 2.6869(8), and 2.7357(6) Å, respectively. In 4, triangular coordination sites of the copper ions are completed with a nitrogen atom from the imino nitroxide and two bromide ions bridging the two copper ions with a separation of 3.074(2) Å. Ligand imino nitroxides in 1-4 form one-dimensional radical chains, and the chains are linked with halocuprate dimer units. Structural and magnetic susceptibility data support that radicals in 1 and 4 are ferromagnetically stacked, while radicals in 2 and 3 form an antiferromagnetic chain. The magnetic behaviors are discussed in connection with the stacking modes of the radicals and bridging conformations. Crystal data (Mo Kalpha, lambda = 0.71069 Å): 1, orthorhombic, space group P2(1)2(1)2(1), a = 17.807(2) Å, b = 8.595(2) Å, c = 19.336(6) Å, and Z = 4; 2, monoclinic, space group P2(1)/c, a = 9.941(2) Å, b = 18.482(2) Å, c = 8.337(2) Å, beta = 96.41(2) degrees, and Z = 2; 3, monoclinic, space group P2(1)/c, a = 9.964(6) Å, b = 18.167(4) Å, c = 8.009(7) Å, beta = 95.81(6) degrees, and Z = 2; 4, monoclinic, space group P2(1)/c, a = 11.991(7) Å, b = 17.998(8) Å, c = 7.215(6) Å, beta = 104.07(6) degrees, and Z = 2.

Journal Article↗