N-(3,5-Dimethylphenyl)-2-nitrobenzenesulfonamide

U Chaithanya,B Thimme Gowda,Sabine Foro

doi:10.1107/s1600536812036926

U Chaithanya, B Thimme Gowda + Show 1 more

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https://doi.org/10.1107/s1600536812036926

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Abstract

The asymmetric unit of the title compound, C14H14N2O4S, consists of two crystallographically independent molecules. The molecules are twisted at the S—N bonds with C—S—N—C torsion angles of 44.2 (3) and −49.3 (3)°. The dihedral angles between the benzene rings in the two molecules are 71.53 (7) and 72.11 (7)°. The amide H atoms exhibit bifurcated intra- and intermolecular hydrogen bonds; the intramolecular N—H⋯O(N) hydrogen bonds generate S(7) motifs. In the crystal, the independent molecules are separately connected through the intermolecular N—H⋯O(S) hydrogen bonds, generating a C(4) motif and a helical chain along the b axis for one molecule and an R 2 2(8) motif and an inversion dimer for the other. The crystal studied was a pseudo-merohedral twin with twin law (-100/0-10/001), the refined ratio of the twin domains being 0.7876 (12):0.2124 (12).

Highlights

C torsion angles of 44.2 (3) and 49.3 (3)
The dihedral angles between the benzene rings in the two molecules are
H atoms treated by a mixture of independent and constrained refinement max = 0.32 e Å3

Summary

CCD detector

R factor = 0.047; wR factor = 0.123; data-to-parameter ratio = 15.2. The asymmetric unit of the title compound, C14H14N2O4S, consists of two crystallographically independent molecules. C torsion angles of 44.2 (3) and 49.3 (3). The dihedral angles between the benzene rings in the two molecules are. The amide H atoms exhibit bifurcated intra- and intermolecular hydrogen bonds; the intramolecular. N—H O(N) hydrogen bonds generate S(7) motifs. The independent molecules are separately connected through the intermolecular N—H O(S) hydrogen bonds, generating a C(4) motif and a helical chain along the b axis for one molecule and an R22(8) motif and an inversion dimer for the other. The crystal studied was a pseudo-merohedral twin with twin law (100/010/001), the refined ratio of the twin domains being 0.7876 (12):0.2124 (12)

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