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2-(2-Nitro-phen-yl)-1,3-benzothia-zole.

ABSTRACT: In the title compound, C(13)H(8)N(2)O(2)S, the essentially planar benzothia-zole system [maximum deviation = -0.012?(1)?Å for the S atom] is oriented at a dihedral angle of 48.3?(1)° with respect to the benzene ring. The nitro group is substanti-ally twisted from the plane of its attached benzene ring [dihedral angle = 52.0?(1)°]. The crystal packing features C-H?O hydrogen bonds, which generate C(6) helical chains propagating along [010]. Weak C-H?? inter-actions also occur in the crystal.

SUBMITTER: Vijayakumar S

PROVIDER: S-EPMC3414295 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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2-(2-Nitro-phen-yl)-1,3-benzothia-zole.

Vijayakumar S S Murugavel S S Selvakumar R R Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20120707 Pt 8

In the title compound, C(13)H(8)N(2)O(2)S, the essentially planar benzothia-zole system [maximum deviation = -0.012 (1) Å for the S atom] is oriented at a dihedral angle of 48.3 (1)° with respect to the benzene ring. The nitro group is substanti-ally twisted from the plane of its attached benzene ring [dihedral angle = 52.0 (1)°]. The crystal packing features C-H⋯O hydrogen bonds, which generate C(6) helical chains propagating along [010]. Weak C-H⋯π inter-actions also occur in the crystal. ...[more]

PMID: 22904828

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