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N-(5-Nitro-1,3-thia-zol-2-yl)-4-(tri-fluoro-meth-yl)benzamide.

ABSTRACT: There are two independent and conformationally dissimilar mol-ecules (A and B) in the asymmetric unit of the title compound, C11H6F3N3O3S; the dihedral angles between the benzene and thia-zole rings are 33.8?(2)° in A and 59.7?(2)° in B. The similarity of the C-N bond lengths in the amide group [1.379?(5) and 1.358?(5)?Å for A, and 1.365?(5) and 1.363?(5)?Å for B] indicates the presence of conjugation between the two rings. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, forming chains extending along [010]; weak N-H?Oamide inter-actions are also present in the structure.

SUBMITTER: Liu XW

PROVIDER: S-EPMC3685087 | biostudies-other | 2013 Jun

REPOSITORIES: biostudies-other

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N-(5-Nitro-1,3-thia-zol-2-yl)-4-(tri-fluoro-meth-yl)benzamide.

Liu Xi-Wang XW Zhang Han H Yang Ya-Jun YJ Li Jian-Yong JY Zhang Ji-Yu JY

Acta crystallographica. Section E, Structure reports online 20130522 Pt 6

There are two independent and conformationally dissimilar mol-ecules (A and B) in the asymmetric unit of the title compound, C11H6F3N3O3S; the dihedral angles between the benzene and thia-zole rings are 33.8 (2)° in A and 59.7 (2)° in B. The similarity of the C-N bond lengths in the amide group [1.379 (5) and 1.358 (5) Å for A, and 1.365 (5) and 1.363 (5) Å for B] indicates the presence of conjugation between the two rings. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming c ...[more]

PMID: 23795106

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