Crystal structure of 2-(piperidin-1-ium-4-yl)-1H-benzo[d]imidazol-3-ium dichloride dihydrate, C12H21Cl2N3O2
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چکیده
منابع مشابه
Crystal structure of 2-(1H-imidazol-3-ium-4-yl)ethanaminium dichloride, a re-determination
The crystal structure of the title mol-ecular salt, C5H11N3 (+)·2Cl(-), was redetermined. In comparison with the previous study [Bonnet et al. (1975 ▸). Bull. Soc. Fr. Mineral. Crist. 98, 208-213.], the positions of some H atoms were corrected, allowing a more accurate description of the hydrogen-bonding scheme. In addition, the absolute structure was also determined. The maximum differences in...
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The title compound, C(8)H(6)N(2)O(2)·2H(2)O, crystallized as a zwitterion with the carboxyl group deprotonated and the imidazole group protonated. The dihedral angle between the benzimidazole ring and the pendant -CO(2) group is 0.62 (2)°. In the crystal, mol-ecules are linked into a three-dimensional network by N-H⋯O and O-H⋯O hydrogen bonds.
متن کاملCrystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butanoate
The title compound, C12H18N4O2, crystallizes in the zwitterionic form with protonation at the N atom of the piperazine ring bearing the carboxylate group. The piperazine ring adopts a slightly distorted chair conformation. In the crystal, N-H⋯O hydrogen bonds are observed, forming chains along [010]. The packing is consolidated by C-H⋯O inter-actions, which generate a three-dimensional network.
متن کامل1-(4-Carboxyphenyl)-1H-imidazol-3-ium chloride dihydrate
In the crystal structure of the title compound, C(10)H(9)N(2)O(2) (+)·Cl(-)·2H(2)O, the components are linked by O-H⋯O, N-H⋯O, O-H⋯Cl and N-H⋯Cl hydrogen bonds. In the cation, the imidazole ring is oriented at a dihedral angle of 13.67 (17)° with respect to the benzene ring. In the crystal, π-π stacking occurs between nearly parallel benzene rings, which are oriented at a dihedral angle of 3.4 ...
متن کاملCrystal structure of 2-ethyl-4-methyl-1-(2-oxido-3,4-dioxocyclobut-1-en-1-yl)-1H-imidazol-3-ium
In the title inner salt molecule, C10H10N2O3, the four-membered cyclobutene ring is twisted by 7.1 (2)° with respect to the five-membered imidazole ring. The crystal packing exhibits an R 2 (2)(9) hydrogen-bonding ring motif through N-H⋯O and C-H⋯O inter-actions. The potential non-linear optical properties were studied by a computational ab initio calculations performed at the DFT/B3LYP/6-31++G...
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ژورنال
عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures
سال: 2019
ISSN: 2197-4578,1433-7266
DOI: 10.1515/ncrs-2018-0402