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2-(1H-1,3-Benzodiazol-2-ylsulfan-yl)-1-(4-chloro-phen-yl)ethanone.

ABSTRACT: The mol-ecule in the structure of the title compound, C(15)H(11)ClN(2)OS, displays two planar residues [r.m.s. deviation = 0.014?Å for the benzimidazole residue, and the ketone group is co-planar with the benzene ring to which it is attached forming a O-C-C-C torsion angle of -173.18?(14) °] linked at the S atom. The overall shape is based on a twisted V, the dihedral angle formed between the two planes being 82.4?(2) °. The amine-H atom is bifurcated, forming N-H?O and N-H?S hydrogen bonds leading to dimeric aggregates. These are linked into a supra-molecular chain along the c axis via C-H?? hydrogen bonds. Chains form layers in the ab plane being connected along the c axis via weak ?-? inter-actions [3.9578?(8)?Å] formed between centrosymmetrically related chloro-substituted benzene rings.

SUBMITTER: Abdel-Aziz HA 

PROVIDER: S-EPMC3201531 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

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2-(1H-1,3-Benzodiazol-2-ylsulfan-yl)-1-(4-chloro-phen-yl)ethanone.

Abdel-Aziz Hatem A HA   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

The mol-ecule in the structure of the title compound, C(15)H(11)ClN(2)OS, displays two planar residues [r.m.s. deviation = 0.014 Å for the benzimidazole residue, and the ketone group is co-planar with the benzene ring to which it is attached forming a O-C-C-C torsion angle of -173.18 (14) °] linked at the S atom. The overall shape is based on a twisted V, the dihedral angle formed between the two planes being 82.4 (2) °. The amine-H atom is bifurcated, forming N-H⋯O and N-H⋯S hydrogen bonds lead  ...[more]

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