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1-(2,5-Dichloro-3-thien-yl)ethanone: infinite sheets mediated by O?Cl halogen bonds.

ABSTRACT: In the title compound, C(6)H(4)Cl(2)OS, the acetyl group is almost coplanar with the thio-phene ring [dihedral angle = 4.01?(2)°]. In the crystal, short inter-molecular O?Cl contacts [2.9494?(14) and 3.1191?(14)?Å] link the mol-ecules into infinite (100) sheets and aromatic ?-? stacking [centroid-centroid separation = 3.5422?(10)?Å] consolidates the packing.

SUBMITTER: Harrison WT

PROVIDER: S-EPMC2983218 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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1-(2,5-Dichloro-3-thien-yl)ethanone: infinite sheets mediated by O⋯Cl halogen bonds.

Harrison William T A WT Chidan Kumar C S CS Yathirajan H S HS Mayekar A N AN Narayana B B

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

In the title compound, C(6)H(4)Cl(2)OS, the acetyl group is almost coplanar with the thio-phene ring [dihedral angle = 4.01 (2)°]. In the crystal, short inter-molecular O⋯Cl contacts [2.9494 (14) and 3.1191 (14) Å] link the mol-ecules into infinite (100) sheets and aromatic π-π stacking [centroid-centroid separation = 3.5422 (10) Å] consolidates the packing. ...[more]

PMID: 21587481

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