Crystal structure of N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

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dc.contributor.authorDe Oliveira, Adriano Bof
dc.contributor.authorBeck, Johannes
dc.contributor.authorLandvogt, Christian
dc.contributor.authorDe Farias, Renan Lira [UNESP]
dc.contributor.authorFeitoza, Bárbara Regina Santos
dc.contributor.institutionUniversidade Federal de Sergipe (UFS)
dc.contributor.institutionInstitut für Anorganische Chemie
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2018-12-11T16:45:51Z
dc.date.available2018-12-11T16:45:51Z
dc.date.issued2017-01-01
dc.description.abstractThere are two crystallographically independent molecules in the asymmetric unit of the title compound, C13H17N3S, one of them being disordered over the methyl group [site-occupancy ratio = 0.705(5):0.295(5)]. The maximum r.m.s. deviations from the mean plane of the non-H atoms for the tetralone fragments amount to 0.4572(17) and 0.4558(15)Å. The N - N - C - N fragments are not planar and torsion angles are -9.4(2) and 8.3(2)°. In the crystal, the molecules are linked by weak N - H⋯S interactions into chains along [100] with graph-set motif C(4) and connected by weak N - H⋯S and C - H⋯S interactions, forming R2 1(10) rings. The Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H⋯H (64.20%), H⋯S (12.60%) and H⋯C (12.00%) interactions. The crystal packing resembles a herringbone arrangement when viewed along [001].en
dc.description.affiliationUniversidade Federal de Sergipe (UFS) Departamento de Química
dc.description.affiliationRheinische Friedrich-Wilhelms-Universität Bonn Institut für Anorganische Chemie
dc.description.affiliationUniversidade Estadual Paulista (UNESP) Instituto de Química
dc.description.affiliationUnespUniversidade Estadual Paulista (UNESP) Instituto de Química
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.format.extent291-295
dc.identifierhttp://dx.doi.org/10.1107/S2056989017001311
dc.identifier.citationActa Crystallographica Section E: Crystallographic Communications, v. 73, p. 291-295.
dc.identifier.doi10.1107/S2056989017001311
dc.identifier.file2-s2.0-85011617065.pdf
dc.identifier.issn2056-9890
dc.identifier.scopus2-s2.0-85011617065
dc.identifier.urihttp://hdl.handle.net/11449/169427
dc.language.isoeng
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communications
dc.relation.ispartofsjr0,153
dc.rights.accessRightsAcesso aberto
dc.sourceScopus
dc.subjectcrystal structure
dc.subjectHirshfeld surface calculation
dc.subjecttetralone thiosemicarbazone derivative
dc.titleCrystal structure of N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamideen
dc.typeArtigo

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