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5-Chloro-2-(thio-phen-2-yl)-1-(thio-phen-2-ylmeth-yl)-1H-benzimidazole-6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06).


ABSTRACT: There are two independent mol-ecules in the asymmetric unit of the title compound, C16H11ClN2S2. The structure exhibits rotational disorder of the 2-thio-phen-2-yl substituent in each of the unique mol-ecules with a major:minor component ratio of 0.927?(2):0.073?(2). For one of the symmetry-unique molecules, 6.0?(2)% of the sites are occupied by the 6-chloro-isomer. The major component thio-phene rings make dihedral angles of 38.90?(12) and 36.32?(11)° with the benzimidazole rings in the two independent mol-ecules. In the crystal, mol-ecules are linked into chains parallel to [100] via weak C-H?N inter-actions.

SUBMITTER: Geiger DK 

PROVIDER: S-EPMC3790407 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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5-Chloro-2-(thio-phen-2-yl)-1-(thio-phen-2-ylmeth-yl)-1H-benzimidazole-6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06).

Geiger David K DK   Nellist Michael R MR  

Acta crystallographica. Section E, Structure reports online 20130912 Pt 10


There are two independent mol-ecules in the asymmetric unit of the title compound, C16H11ClN2S2. The structure exhibits rotational disorder of the 2-thio-phen-2-yl substituent in each of the unique mol-ecules with a major:minor component ratio of 0.927 (2):0.073 (2). For one of the symmetry-unique molecules, 6.0 (2)% of the sites are occupied by the 6-chloro-isomer. The major component thio-phene rings make dihedral angles of 38.90 (12) and 36.32 (11)° with the benzimidazole rings in the two ind  ...[more]

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