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Ethyl 1-sec-butyl-2-(4-chloro-phen-yl)-1H-benzimidazole-5-carboxyl-ate.


ABSTRACT: In the title compound, C(20)H(21)ClN(2)O(2), the ethyl 1H-benzimidazole-5-carboxyl-ate ring system, excluding the methyl-ene and methyl H atoms, is almost planar, with a maximum deviation of 0.055?(1)?Å, and makes a dihedral angle of 40.63?(4)° with the benzene ring. The sec-butyl group is disordered over two positions, with refined site occupancies of 0.855?(4) and 0.145?(4). In the crystal, mol-ecules are linked into chains along [010] via inter-molecular C-H?O hydrogen bonds and are further inter-connected by C-H?Cl inter-actions into two-dimensional networks parallel to (001). The crystal structure is further consolidated by C-H?? inter-actions.

SUBMITTER: Arumugam N 

PROVIDER: S-EPMC3008004 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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Ethyl 1-sec-butyl-2-(4-chloro-phen-yl)-1H-benzimidazole-5-carboxyl-ate.

Arumugam Natarajan N   Abdul Rahim Aisyah Saad AS   Osman Hasnah H   Quah Ching Kheng CK   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20100828 Pt 9


In the title compound, C(20)H(21)ClN(2)O(2), the ethyl 1H-benzimidazole-5-carboxyl-ate ring system, excluding the methyl-ene and methyl H atoms, is almost planar, with a maximum deviation of 0.055 (1) Å, and makes a dihedral angle of 40.63 (4)° with the benzene ring. The sec-butyl group is disordered over two positions, with refined site occupancies of 0.855 (4) and 0.145 (4). In the crystal, mol-ecules are linked into chains along [010] via inter-molecular C-H⋯O hydrogen bonds and are further i  ...[more]

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