{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 10)"],"submitter":["Chaithanya U"],"pubmed_abstract":["The asymmetric unit of the title compound, C(14)H(14)N(2)O(4)S, consists of two crystallographically independent mol-ecules. The mol-ecules 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 mol-ecules are 71.53 (7) and 72.11 (7)°. The amide H atoms exhibit bifurcated intra- and inter-molecular hydrogen bonds; the intra-molecular N-H⋯O(N) hydrogen bonds generate S(7) motifs. In the crystal, the independent mol-ecules are separately connected through the inter-molecular N-H⋯O(S) hydrogen bonds, generating a C(4) motif and a helical chain along the b axis for one mol-ecule 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)."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2823"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3470185"],"repository":["biostudies-literature"],"pubmed_title":["N-(3,5-Dimethyl-phen-yl)-2-nitro-benzene-sulfonamide."],"pmcid":["PMC3470185"],"pubmed_authors":["Chaithanya U","Gowda BT","Foro S"],"additional_accession":[]},"is_claimable":false,"name":"N-(3,5-Dimethyl-phen-yl)-2-nitro-benzene-sulfonamide.","description":"The asymmetric unit of the title compound, C(14)H(14)N(2)O(4)S, consists of two crystallographically independent mol-ecules. The mol-ecules 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 mol-ecules are 71.53 (7) and 72.11 (7)°. The amide H atoms exhibit bifurcated intra- and inter-molecular hydrogen bonds; the intra-molecular N-H⋯O(N) hydrogen bonds generate S(7) motifs. In the crystal, the independent mol-ecules are separately connected through the inter-molecular N-H⋯O(S) hydrogen bonds, generating a C(4) motif and a helical chain along the b axis for one mol-ecule 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).","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Oct","modification":"2025-04-19T15:52:45.375Z","creation":"2019-03-27T00:59:01Z"},"accession":"S-EPMC3470185","cross_references":{"pubmed":["23125629"],"doi":["10.1107/S1600536812036926"]}}