{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["69(Pt 1)"],"submitter":["Waris G"],"pubmed_abstract":["The mol-ecular structure of the title salt, C6H16N(+)·C20H11N6O12S(-), shows a planar geometry of the benzamido-phen-yl-sulfonyl moiety, with a dihedral angle of 1.59 (9)° between the aromatic ring planes. The central ring and the aromatic ring of the other dinitro-benzamide group are nearly perpendicular, making a dihedral angle of 89.55 (9)°. All nitro groups lie almost in plane with the associated aromatic rings, the O-N-C-C torsion angles ranging from 9.2 (2) to 24.3 (2)°. In the crystal, strong anion-anion N-H⋯O and anion-cation hydrogen bonds form inversion dimers stacked along the a axis. Less prominent anion-anion C-H⋯O inter-actions lead to the formation of a three-dimensional network including anion-anion dimers as well as anion-anion chains along [100?]."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o97"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3588331"],"repository":["biostudies-literature"],"pubmed_title":["Triethyl-ammonium 4-(3,5-dinitro-benzamido)-N-(3,5-dinitro-benzo-yl)benzene-sulfonamidate."],"pmcid":["PMC3588331"],"pubmed_authors":["Siddiqi HM","Hussain R","Waris G","Butt MS","Florke U"],"additional_accession":[]},"is_claimable":false,"name":"Triethyl-ammonium 4-(3,5-dinitro-benzamido)-N-(3,5-dinitro-benzo-yl)benzene-sulfonamidate.","description":"The mol-ecular structure of the title salt, C6H16N(+)·C20H11N6O12S(-), shows a planar geometry of the benzamido-phen-yl-sulfonyl moiety, with a dihedral angle of 1.59 (9)° between the aromatic ring planes. The central ring and the aromatic ring of the other dinitro-benzamide group are nearly perpendicular, making a dihedral angle of 89.55 (9)°. All nitro groups lie almost in plane with the associated aromatic rings, the O-N-C-C torsion angles ranging from 9.2 (2) to 24.3 (2)°. In the crystal, strong anion-anion N-H⋯O and anion-cation hydrogen bonds form inversion dimers stacked along the a axis. Less prominent anion-anion C-H⋯O inter-actions lead to the formation of a three-dimensional network including anion-anion dimers as well as anion-anion chains along [100?].","dates":{"release":"2013-01-01T00:00:00Z","publication":"2013 Jan","modification":"2025-04-04T10:36:07.699Z","creation":"2019-03-27T01:05:36Z"},"accession":"S-EPMC3588331","cross_references":{"pubmed":["23476476"],"doi":["10.1107/S1600536812050180"]}}