{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 4)"],"submitter":["Mohamed SK"],"pubmed_abstract":["In the title comound, C(8)H(8)N(4)S, one of the two independent mol-ecules is essentially planar (r.m.s. deviation = 0.025 Å), while the other is slightly buckled (r.m.s. deviation = 0.131 Å) with the guanidine unit bent out of the plane of the fused-ring system by 16.8 (1)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds between the two independent mol-ecules give rise to a hydrogen-bonded dimer. Addtional weak inter-molecular N-H⋯N hydrogen bonds connect these dimers into chains along [010]. An intra-molecular N-H⋯N hydrogen bond is also observed in each independent mol-ecule."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o786"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099861"],"repository":["biostudies-literature"],"pubmed_title":["2-(1,3-Benzothia-zol-2-yl)guanidine."],"pmcid":["PMC3099861"],"pubmed_authors":["Mohamed SK","Ng SW","El-Remaily MA","Soliman AM","Gurbanov AV"],"additional_accession":[]},"is_claimable":false,"name":"2-(1,3-Benzothia-zol-2-yl)guanidine.","description":"In the title comound, C(8)H(8)N(4)S, one of the two independent mol-ecules is essentially planar (r.m.s. deviation = 0.025 Å), while the other is slightly buckled (r.m.s. deviation = 0.131 Å) with the guanidine unit bent out of the plane of the fused-ring system by 16.8 (1)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds between the two independent mol-ecules give rise to a hydrogen-bonded dimer. Addtional weak inter-molecular N-H⋯N hydrogen bonds connect these dimers into chains along [010]. An intra-molecular N-H⋯N hydrogen bond is also observed in each independent mol-ecule.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Apr","modification":"2025-04-04T23:26:51.315Z","creation":"2019-03-26T23:59:22Z"},"accession":"S-EPMC3099861","cross_references":{"pubmed":["21754077"],"doi":["10.1107/S160053681100732X"]}}