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Ethyl 1-[3-(1H-imidazol-1-yl)prop-yl]-2-(4-chloro-phen-yl)-1H-benzo[d]imidazole-5-carboxyl-ate dihydrate.

ABSTRACT: In the title compound, C(22)H(21)ClN(4)O(2)·2H(2)O, the almost-planar benzimidazole ring system [maximum deviation 0.014?(1)?Å] is inclined at angles of 36.32?(5) and 74.75?(7)° with respect to the phenyl and imidazole rings, respectively. In the crystal structure, the water mol-ecules are linked to the organic mol-ecules to form a three-dimensional network via O-H?N and O-H?O hydrogen bonds. The packing is further consolidated by a pair of bifurcated C-H?O bonds, generating R(1) (2)(6) loops. C-H?? inter-actions are also observed.

SUBMITTER: Yoon YK

PROVIDER: S-EPMC3200625 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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Ethyl 1-[3-(1H-imidazol-1-yl)prop-yl]-2-(4-chloro-phen-yl)-1H-benzo[d]imidazole-5-carboxyl-ate dihydrate.

Yoon Yeong Keng YK Ali Mohamed Ashraf MA Wei Ang Chee AC Quah Ching Kheng CK Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the title compound, C(22)H(21)ClN(4)O(2)·2H(2)O, the almost-planar benzimidazole ring system [maximum deviation 0.014 (1) Å] is inclined at angles of 36.32 (5) and 74.75 (7)° with respect to the phenyl and imidazole rings, respectively. In the crystal structure, the water mol-ecules are linked to the organic mol-ecules to form a three-dimensional network via O-H⋯N and O-H⋯O hydrogen bonds. The packing is further consolidated by a pair of bifurcated C-H⋯O bonds, generating R(1) (2)(6) loops. C ...[more]

PMID: 22058996

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