Suchetan P A, Foro Sabine, Gowda B Thimme, Nirmala B
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o339. doi: 10.1107/S1600536811055917. Epub 2012 Jan 11.
In the title compound, C(13)H(10)N(2)O(5)S, the N-C bond in the C-SO(2)-NH-C segment has gauche torsion angles with respect to the S=O bonds. The conformation between the N-H bond and the ortho-nitro group in the sulfonyl benzene ring is syn. The mol-ecule is twisted at the S-N bond with a torsion angle of -63.4 (2)°. The sulfonyl benzene ring is tilted by 77.1 (1)° relative to the -SO(2)-NH-C-O segment. The dihedral angle between the sulfonyl and the benzoyl benzene rings is 88.6 (1)°. In the crystal, pairs of N-H⋯O(S) hydrogen bonds link the mol-ecules into inversion dimers, which are linked by weak C-H⋯O and C-H⋯π inter-actions along the b axis.
在标题化合物C₁₃H₁₀N₂O₅S中，C-SO₂-NH-C片段中的N-C键相对于S=O键具有 gauche扭转角。磺酰苯环中N-H键与邻硝基之间的构象为顺式。分子在S-N键处扭曲，扭转角为-63.4(2)°。磺酰苯环相对于-SO₂-NH-C-O片段倾斜77.1(1)°。磺酰苯环与苯甲酰苯环之间的二面角为88.6(1)°。在晶体中，N-H⋯O(S)氢键对将分子连接成反向二聚体，这些二聚体通过沿b轴的弱C-H⋯O和C-H⋯π相互作用相连。
