{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 5)"],"submitter":["Wang XH"],"pubmed_abstract":["The title compound, C(14)H(11)BrN(2)OS, was synthesized by the reaction of 1,2-benzothia-zol-3(2H)-one with formalin and 3-bromo-aniline in ethanol. The 1,2-benzothia-zolone ring system is approximately planar [maximum deviation = 0.0142 (s.u.?) Å] and forms a dihedral angle of 79.19 (5)° with the benzene ring. In the crystal, molecules are linked by N-H⋯O, C-H⋯O and C-H⋯Br interactions."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1303"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3344448"],"repository":["biostudies-literature"],"pubmed_title":["2-[(3-Bromo-anilino)meth-yl]-1,2-benzo-thia-zol-3(2H)-one."],"pmcid":["PMC3344448"],"pubmed_authors":["Lin Q","Yang JX","Chen JH","Wang XH"],"additional_accession":[]},"is_claimable":false,"name":"2-[(3-Bromo-anilino)meth-yl]-1,2-benzo-thia-zol-3(2H)-one.","description":"The title compound, C(14)H(11)BrN(2)OS, was synthesized by the reaction of 1,2-benzothia-zol-3(2H)-one with formalin and 3-bromo-aniline in ethanol. The 1,2-benzothia-zolone ring system is approximately planar [maximum deviation = 0.0142 (s.u.?) Å] and forms a dihedral angle of 79.19 (5)° with the benzene ring. In the crystal, molecules are linked by N-H⋯O, C-H⋯O and C-H⋯Br interactions.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 May","modification":"2025-04-04T14:12:39.761Z","creation":"2019-03-27T00:53:06Z"},"accession":"S-EPMC3344448","cross_references":{"pubmed":["22590210"],"doi":["10.1107/S1600536812012263"]}}