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Crystal structure and Hirshfeld surface analysis of 1-(4-chloro-phen-yl)-2-{[5-(4-chloro-phen-yl)-1,3,4-oxa-diazol-2-yl]sulfan-yl}ethanone.

ABSTRACT: In the title compound, C16H10Cl2N2O2S, the dihedral angles formed by the chloro-substituted benzene rings with the central oxa-diazole ring are 6.54?(9) and 6.94?(8)°. In the crystal, C-H?N hydrogen bonding links the mol-ecules into undulating ribbons running parallel to the b axis. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H?C (18%), H?H (17%), H?Cl (16.6%), H?O (10.4%), H?N (8.9%) and H?S (5.9%) inter-actions.

SUBMITTER: Kumar R

PROVIDER: S-EPMC5382613 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 1-(4-chloro-phen-yl)-2-{[5-(4-chloro-phen-yl)-1,3,4-oxa-diazol-2-yl]sulfan-yl}ethanone.

Kumar Rajesh R Hussain Shafqat S Khan Khalid M KM Perveen Shahnaz S Yousuf Sammer S

Acta crystallographica. Section E, Crystallographic communications 20170317 Pt 4

In the title compound, C16H10Cl2N2O2S, the dihedral angles formed by the chloro-substituted benzene rings with the central oxa-diazole ring are 6.54 (9) and 6.94 (8)°. In the crystal, C-H⋯N hydrogen bonding links the mol-ecules into undulating ribbons running parallel to the b axis. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H⋯C (18%), H⋯H (17%), H⋯Cl (16.6%), H⋯O (10.4%) ...[more]

PMID: 28435712

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