Crystal structure of 1-(4-formyl­benzyl­idene)thio­semicarbazone

The asymmetric unit of the title compound, C(9)H(9)N(3)OS, contains two approximately planar mol­ecules (r.m.s. deviations for 14 non-H atoms = 0.094 and 0.045 Å), with different conformations. In one of them, the C=O group is syn to the S atom and in the other it is anti. Each mol­ecule features an...

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Autores principales: Carballo, Rosa, Pino-Cuevas, Arantxa, Vázquez-López, Ezequiel M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186181/
https://www.ncbi.nlm.nih.gov/pubmed/25309285
http://dx.doi.org/10.1107/S1600536814017255
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author Carballo, Rosa
Pino-Cuevas, Arantxa
Vázquez-López, Ezequiel M.
author_facet Carballo, Rosa
Pino-Cuevas, Arantxa
Vázquez-López, Ezequiel M.
author_sort Carballo, Rosa
collection PubMed
description The asymmetric unit of the title compound, C(9)H(9)N(3)OS, contains two approximately planar mol­ecules (r.m.s. deviations for 14 non-H atoms = 0.094 and 0.045 Å), with different conformations. In one of them, the C=O group is syn to the S atom and in the other it is anti. Each mol­ecule features an intra­molecular N—H⋯N hydrogen bond, which generates an S(5) ring. In the crystal, mol­ecules are linked by N—H⋯O and N—H⋯S hydrogen bonds, generating discrete networks; the syn mol­ecules form [010] chains and the anti mol­ecules form (100) sheets.
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spelling pubmed-41861812014-10-12 Crystal structure of 1-(4-formyl­benzyl­idene)thio­semicarbazone Carballo, Rosa Pino-Cuevas, Arantxa Vázquez-López, Ezequiel M. Acta Crystallogr Sect E Struct Rep Online Data Reports The asymmetric unit of the title compound, C(9)H(9)N(3)OS, contains two approximately planar mol­ecules (r.m.s. deviations for 14 non-H atoms = 0.094 and 0.045 Å), with different conformations. In one of them, the C=O group is syn to the S atom and in the other it is anti. Each mol­ecule features an intra­molecular N—H⋯N hydrogen bond, which generates an S(5) ring. In the crystal, mol­ecules are linked by N—H⋯O and N—H⋯S hydrogen bonds, generating discrete networks; the syn mol­ecules form [010] chains and the anti mol­ecules form (100) sheets. International Union of Crystallography 2014-08-06 /pmc/articles/PMC4186181/ /pubmed/25309285 http://dx.doi.org/10.1107/S1600536814017255 Text en © Carballo et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Carballo, Rosa
Pino-Cuevas, Arantxa
Vázquez-López, Ezequiel M.
Crystal structure of 1-(4-formyl­benzyl­idene)thio­semicarbazone
title Crystal structure of 1-(4-formyl­benzyl­idene)thio­semicarbazone
title_full Crystal structure of 1-(4-formyl­benzyl­idene)thio­semicarbazone
title_fullStr Crystal structure of 1-(4-formyl­benzyl­idene)thio­semicarbazone
title_full_unstemmed Crystal structure of 1-(4-formyl­benzyl­idene)thio­semicarbazone
title_short Crystal structure of 1-(4-formyl­benzyl­idene)thio­semicarbazone
title_sort crystal structure of 1-(4-formyl­benzyl­idene)thio­semicarbazone
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186181/
https://www.ncbi.nlm.nih.gov/pubmed/25309285
http://dx.doi.org/10.1107/S1600536814017255
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