The asymmetric unit of the title compound, C(16)H(14)F(3)N(3)OS·H(2)O, contains two independent mol-ecules (A and B) and two water mol-ecules, one of which is disordered over two positions in a 0.790 (8):0.210 (8) ratio. The mol-ecular conformations are close, the benzimidazole mean plane and pyridine ring forming dihedral angles of 1.8 (3) and 0.1 (2)° in mol-ecules A and B, respectively. The water mol-ecules are involved in formation of two independent hydrogen-bonded chains via N-H⋯O and O-H⋯N hydrogen bonds. Chains propagating along the a axis are formed by mol-ecule A and one independent water mol-ecule, while chains propagating along the b axis are formed by mol-ecule B and the other independent water mol-ecule. The crystal packing exhibits π-π inter-actions, as indicated by short distances of 3.607 (3) and 3.701 (3) Å between the centroids of the imidazole and pyridine rings of neighbouring mol-ecules.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051707 | PMC |
| http://dx.doi.org/10.1107/S1600536810053730 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Synthesis, crystal structure and properties of μ-tetra-thio-anti-monato-bis-[(cyclam)zinc(II)] perchlorate 0.8-hydrate.
Acta Crystallogr E Crystallogr Commun
October 2024
Institut für Anorganische Chemie, Universität Kiel, Max-Eyth.-Str. 2, D-24118 Kiel, Germany.
The reaction of Zn(ClO)·6HO with NaSbS·9HO in a water/aceto-nitrile mixture leads to the formation of the title compound, (μ-tetra-thio-anti-monato-κ :')bis-[(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ )zinc(II)] perchlorate 0.8-hydrate, [Zn(SbS)(CHN)]ClO·0.8HO or [(Zn-cyclam)(SbS)][ClO]·0.
View Article and Find Full Text PDFCrystal structure of [Ni(OH)]Cl·(18-crown-6)·2HO.
Acta Crystallogr E Crystallogr Commun
October 2024
Department of Chemistry & Biochemistry California State Polytechnic University, Pomona 3801 W Temple Ave Pomona CA 91768 USA.
The crystal structure of the title compound, hexa-aqua-nickel(II) dichloride-1,4,7,10,13,16-hexa-oxa-cyclo-octa-deca-ne-water (1/2/2), [Ni(HO)]Cl·2CHO·2HO, is reported. The asymmetric unit contains half of the Ni(OH) moiety with a formula of CHClNiO at 105 K and triclinic (1) symmetry. The [Ni(OH)] cation has close to ideal octa-hedral geometry with O-Ni-O bond angles that are within 3° of idealized values.
View Article and Find Full Text PDFSynthesis and crystal structure of 1-1,2,4-triazole-3,5-di-amine monohydrate.
Acta Crystallogr E Crystallogr Commun
October 2024
Faculty of Environment and Information Sciences Yokohama National University, 79-7 Tokiwadai Hodogaya-ku Yokohama-shi Kanagawa 240-8501 Japan.
The title compound, a hydrate of 3,5-di-amino-1,2,4-triazole (DATA), CHN·HO, was synthesized in the presence of sodium perchlorate. The evaporation of HO from its aqueous solution resulted in anhydrous DATA, suggesting that sodium perchlorate was required to precipitate the DATA hydrate. The DATA hydrate crystallizes in the 2/ space group in the form of needle-shaped crystals with one DATA and one water mol-ecule in the asymmetric unit.
View Article and Find Full Text PDFStructural multiplicity in a solvated hydrate of the anti-retroviral protease inhibitor Lopinavir.
Acta Crystallogr E Crystallogr Commun
October 2024
University of South Africa, Chemistry Department, Unisa Science Campus, 28 Pioneer Avenue, Florida, Roodepoort, Gauteng, South Africa.
Lopinavir is a potent protease inhibitor that is used as a first-line pharmaceutical drug for the treatment of HIV. The multi-component solvated Lopinavir crystal, systematic name (2)--[(2,4,5)-5-[2-(2,6-di-methyl-phen-oxy)acetamido]-4-hy-droxy-1,6-di-phenyl-hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide-ethane-1,2-diol-water (8/3/7) 8CHNO·3CHO·7HO, was prepared using evaporative methods. The crystalline material obtained from this experimental synthesis was characterized and elucidated by single-crystal X-ray diffraction (SC-XRD).
View Article and Find Full Text PDFCrystal structure of -poly[[di-aqua-di-imida-zole-cobalt(II)]-μ-2,3,5,6-tetra-bromo-benzene-1,4-di-carboxyl-ato].
Acta Crystallogr E Crystallogr Commun
October 2024
Toyota Central R&D Labs., Inc., 41-1 Yokomichi, Nagakute, Aichi 480-1192, Japan.
The asymmetric unit of the title compound, [Co(CBrO)(CHN)(HO)] or [Co(Brbdc)(im)(HO)] , comprises half of Co ion, tetra-bromo-benzene-dicarboxylate (Brbdc), imidazole (im) and a water mol-ecule. The Co ion exhibits a six-coordinated octa-hedral geometry with two oxygen atoms of the Brbdc ligand, two oxygen atoms of the water mol-ecules, and two nitro-gen atoms of the im ligands. The carboxyl-ate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the Co ion.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!