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Polymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonate

dc.contributor.authorKafuta, Kevin
dc.contributor.authorGolz, Christopher
dc.contributor.authorAlcarazo, Manuel
dc.date.accessioned2020-12-01T09:55:50Z
dc.date.available2020-12-01T09:55:50Z
dc.date.issued2020de
dc.relation.ISSN2056-9890de
dc.identifier.urihttp://resolver.sub.uni-goettingen.de/purl?gs-1/17674
dc.description.abstractThe polymorphism of the title compound, C15H8N2S5, is reported, in which the (syn,syn) and (syn,anti) conformers simultaneously crystallized from a chloroform solution. The complete molecule of the (syn,syn) form is generated by a crystallographic twofold axis. The geometries of both conformers are compared in detail, revealing no significant differences in bond lengths, despite different bond angles because of the conformational changes. Analysis of the intermolecular interactions, aided by Hirshfeld surfaces, shows distinctive SS and SN contacts only for the (syn,anti) conformer. Aromatic –-stacking interactions are found for both conformers, which occur for the (syn,anti) conformer between pairs of molecules, but are continuous stacks in the (syn,syn) conformer. Non merohedral twinning was found for the crystal of the (syn,anti) conformer used for data collection.de
dc.language.isoengde
dc.rightsopenAccess
dc.rightsNamensnennung 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.subjectcrystal structure; trithiocarbonates; benzothiazole; polymorphism; Hirshfeld surface analysisde
dc.subject.ddc540
dc.titlePolymorphism of bis(1,3-benzothiazol-2-yl) trithiocarbonatede
dc.typejournalArticlede
dc.identifier.doi10.1107/S2056989020008105
dc.identifier.doi10.1107/S2056989020008105/hb7924sup1.cif
dc.identifier.doi10.1107/S2056989020008105/hb7924sssup3.hkl
dc.identifier.doi10.1107/S2056989020008105/hb7924sasup4.hkl
dc.identifier.doi10.1107/S2056989020008105/hb7924sssup4.cml
dc.type.versionpublishedVersionde
dc.relation.eISSN2056-9890
dc.bibliographicCitation.volume76de
dc.bibliographicCitation.issue7de
dc.bibliographicCitation.firstPage1126de
dc.bibliographicCitation.lastPage1130de
dc.type.subtypejournalArticle
dc.description.statuspeerReviewedde
dc.bibliographicCitation.journalActa Crystallographica Section E Crystallographic Communicationsde


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