Crystal structure of N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide
dc.contributor.author | De Oliveira, Adriano Bof | |
dc.contributor.author | Beck, Johannes | |
dc.contributor.author | Landvogt, Christian | |
dc.contributor.author | De Farias, Renan Lira [UNESP] | |
dc.contributor.author | Feitoza, Bárbara Regina Santos | |
dc.contributor.institution | Universidade Federal de Sergipe (UFS) | |
dc.contributor.institution | Institut für Anorganische Chemie | |
dc.contributor.institution | Universidade Estadual Paulista (Unesp) | |
dc.date.accessioned | 2018-12-11T16:45:51Z | |
dc.date.available | 2018-12-11T16:45:51Z | |
dc.date.issued | 2017-01-01 | |
dc.description.abstract | There 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.affiliation | Universidade Federal de Sergipe (UFS) Departamento de Química | |
dc.description.affiliation | Rheinische Friedrich-Wilhelms-Universität Bonn Institut für Anorganische Chemie | |
dc.description.affiliation | Universidade Estadual Paulista (UNESP) Instituto de Química | |
dc.description.affiliationUnesp | Universidade Estadual Paulista (UNESP) Instituto de Química | |
dc.description.sponsorship | Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) | |
dc.description.sponsorship | Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) | |
dc.format.extent | 291-295 | |
dc.identifier | http://dx.doi.org/10.1107/S2056989017001311 | |
dc.identifier.citation | Acta Crystallographica Section E: Crystallographic Communications, v. 73, p. 291-295. | |
dc.identifier.doi | 10.1107/S2056989017001311 | |
dc.identifier.file | 2-s2.0-85011617065.pdf | |
dc.identifier.issn | 2056-9890 | |
dc.identifier.scopus | 2-s2.0-85011617065 | |
dc.identifier.uri | http://hdl.handle.net/11449/169427 | |
dc.language.iso | eng | |
dc.relation.ispartof | Acta Crystallographica Section E: Crystallographic Communications | |
dc.relation.ispartofsjr | 0,153 | |
dc.rights.accessRights | Acesso aberto | |
dc.source | Scopus | |
dc.subject | crystal structure | |
dc.subject | Hirshfeld surface calculation | |
dc.subject | tetralone thiosemicarbazone derivative | |
dc.title | Crystal structure of N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide | en |
dc.type | Artigo |
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