Crystal structure of 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

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Crystal structure of 2-nitro-N-(5-nitro-1,3-thia­zol-2-yl)benzamide

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Department of Chemistry, University of Toronto, 80 St George Street, Toronto, Ontario, Canada M5S 3H6, PET Centre, Centre for Addiction and Mental Health and Department of Psychiatry, University of Toronto, 250 College Street, Toronto, Ontario, Canada M5T 1R8, and Departments of Chemistry and Chemical Biology, and Medical Physics and Applied Radiation Sciences, McMaster University, 1280 Main St...

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The mol-ecule of the title compound, C(13)H(10)N(2)O(4), is almost planar with a dihedral angle between the benzene rings of 1.99 (13)°. The nitro group and its parent benzene ring are oriented at a dihedral angle of 7.6 (3)°. Intra-molecular C-H⋯O and N-H⋯O hydrogen bonds form two planar S(6) motifs. Inter-molecular O-H⋯O=C hydrogen bonds join mol-ecules into chains extending along the c axis.

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In the title compound, C(12)H(10)N(2)O(4)S, the conformation of the N-H bond in the -SO(2)-NH- fragment is syn to the ortho-nitro group in the sulfonyl-benzene ring. The mol-ecule is twisted at the S-N bond, the C-N-S-C torsion angle being -72.83 (15)°. The dihedral angle between the benzene rings is 59.55 (7)°. The amide H atom and the nitro group O atom form an intra-molecular hydrogen bond, ...

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2014

ISSN: 1600-5368

DOI: 10.1107/s1600536814024374