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Crystal structure of 2-(4-chloro-3-fluoro-phen-yl)-1H-benzimidazole.

ABSTRACT: In the title compound, C13H8ClFN2, the dihedral angle between the plane of the benzimidazole ring system (r.m.s. deviation = 0.022 Å) and the benzene ring is 26.90 (8)°. The F atom at the meta position of the benzene ring is disordered over two sites in a 0.843 (4):0.157 (4) ratio. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming infinite C(4) chains propagating along [010]. In addition, weak C-H⋯π and π-π inter-actions [shortest centroid-centroid separation = 3.6838 (12) Å] are observed, which link the chains into a three-dimensional network.

SUBMITTER: Krishnamurthy MS

PROVIDER: S-EPMC4459371 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of 2-(4-chloro-3-fluoro-phen-yl)-1H-benzimidazole.

Krishnamurthy M S MS Begum Noor Shahina NS

Acta crystallographica. Section E, Crystallographic communications 20150509 Pt 6

In the title compound, C13H8ClFN2, the dihedral angle between the plane of the benzimidazole ring system (r.m.s. deviation = 0.022 Å) and the benzene ring is 26.90 (8)°. The F atom at the meta position of the benzene ring is disordered over two sites in a 0.843 (4):0.157 (4) ratio. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming infinite C(4) chains propagating along [010]. In addition, weak C-H⋯π and π-π inter-actions [shortest centroid-centroid separation = 3.6838 (12) Å ...[more]

PMID: 26090181

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