{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 4)"],"submitter":["Zheng NJ"],"pubmed_abstract":["The asymmetric unit of the title compound, C(12)H(9)NO(2)S(4), contains one half-mol-ecule with the N, two S amd four C atoms lying on a mirror plane. The mol-ecule exhibits a V-shaped conformation, with a dihedral angle of 87.00 (7)° between the benzene and dithiol-opyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains in [010]."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1046"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3344007"],"repository":["biostudies-literature"],"pubmed_title":["5-(4-Methyl-phenyl-sulfon-yl)-1,3-dithiolo[4,5-c]pyrrole-2-thione."],"pmcid":["PMC3344007"],"pubmed_authors":["Yin BZ","Zheng NJ"],"additional_accession":[]},"is_claimable":false,"name":"5-(4-Methyl-phenyl-sulfon-yl)-1,3-dithiolo[4,5-c]pyrrole-2-thione.","description":"The asymmetric unit of the title compound, C(12)H(9)NO(2)S(4), contains one half-mol-ecule with the N, two S amd four C atoms lying on a mirror plane. The mol-ecule exhibits a V-shaped conformation, with a dihedral angle of 87.00 (7)° between the benzene and dithiol-opyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains in [010].","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Apr","modification":"2025-04-04T09:12:03.89Z","creation":"2019-03-27T00:53:03Z"},"accession":"S-EPMC3344007","cross_references":{"pubmed":["22589916"],"doi":["10.1107/S1600536812009622"]}}