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1-Benzothio­phene-2-carbaldehyde 4-ethyl­thio­semicarbazone

The title compound, C(13)H(15)N(3)S(2), crystallizes with two unique mol­ecules, A and B, in the asymmetric unit. These differ principally in that the methyl group of the 4-ethyl­thio­semicarbazone moiety is ordered in mol­ecule A but disordered over two positions with equal occupancies in mol­ecule...

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Detalles Bibliográficos
Autores principales: Kayed, Safa’a Fares, Farina, Yang, Simpson, Jim
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968090/
https://www.ncbi.nlm.nih.gov/pubmed/21581636
http://dx.doi.org/10.1107/S1600536808042797
Descripción
Sumario:The title compound, C(13)H(15)N(3)S(2), crystallizes with two unique mol­ecules, A and B, in the asymmetric unit. These differ principally in that the methyl group of the 4-ethyl­thio­semicarbazone moiety is ordered in mol­ecule A but disordered over two positions with equal occupancies in mol­ecule B. The benzothio­phene group and the semicarbazone unit are inclined at dihedral angles of 11.78 (8)° for mol­ecule A and 8.18 (13)° for mol­ecule B. Weak intra­molecular N—H⋯N inter­actions contribute to the planarity of the semicarbazone units in both mol­ecules and each mol­ecule adopts an E configuration with respect to the C=N bonds. In the crystal structure, mol­ecules form centrosymmetric dimers as a result of N—H⋯S hydrogen bonds, augmented by C—H⋯S inter­actions for mol­ecule A and C—H⋯S inter­actions for mol­ecule B. Weak C—H⋯π inter­actions stack the dimers of both mol­ecules into columns down the a axis.