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Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl-ate.

ABSTRACT: In the title compound, C(21)H(24)N(2)O(2), the butyl group is disordered over two orientations with refined site occupancies of 0.883?(3) and 0.117?(3). The dihedral angle between the mean plane of benzimidazole ring system and the benzene ring is 39.32?(4)° and the dihedral angle between the mean plane of carboxyl-ate group and the benzimidazole ring system is 6.87?(5)°. A weak intra-molecular C-H?? inter-action may have some influence on the conformation of the mol-ecule. In the crystal structure, mol-ecules are linked into infinite chains along the b axis by weak inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Arumugam N

PROVIDER: S-EPMC2979236 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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Ethyl 1-sec-butyl-2-p-tolyl-1H-benzimidazole-5-carboxyl-ate.

Arumugam Natarajan N Abdul Rahim Aisyah Saad AS Osman Hasnah H Yeap Chin Sing CS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

In the title compound, C(21)H(24)N(2)O(2), the butyl group is disordered over two orientations with refined site occupancies of 0.883 (3) and 0.117 (3). The dihedral angle between the mean plane of benzimidazole ring system and the benzene ring is 39.32 (4)° and the dihedral angle between the mean plane of carboxyl-ate group and the benzimidazole ring system is 6.87 (5)°. A weak intra-molecular C-H⋯π inter-action may have some influence on the conformation of the mol-ecule. In the crystal struct ...[more]

PMID: 21579242

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