Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate

The asymmetric unit of the title compound, C(17)H(17)N(3)O(2)S, consists of two independent mol­ecules, A and B, with different conformations: in mol­ecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamo­thio­ylhydrazono groups are 71.12 (9) and 5.95 (8)°, r...

Descripción completa

Detalles Bibliográficos
Autores principales: Mani, Karthik Ananth, Viswanathan, Vijayan, Narasimhan, S., Velmurugan, Devadasan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331904/
https://www.ncbi.nlm.nih.gov/pubmed/25705498
http://dx.doi.org/10.1107/S2056989014026942
_version_ 1782357807354347520
author Mani, Karthik Ananth
Viswanathan, Vijayan
Narasimhan, S.
Velmurugan, Devadasan
author_facet Mani, Karthik Ananth
Viswanathan, Vijayan
Narasimhan, S.
Velmurugan, Devadasan
author_sort Mani, Karthik Ananth
collection PubMed
description The asymmetric unit of the title compound, C(17)H(17)N(3)O(2)S, consists of two independent mol­ecules, A and B, with different conformations: in mol­ecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamo­thio­ylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in mol­ecule B are 50.56 (12) and 26.43 (11)°, respectively. Both mol­ecules feature an intra­molecular N—H⋯N hydrogen bond, which closes an S(5) ring. In the crystal, mol­ecules are linked by N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds, generating a three-dimensional network.
format Online
Article
Text
id pubmed-4331904
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-43319042015-02-20 Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate Mani, Karthik Ananth Viswanathan, Vijayan Narasimhan, S. Velmurugan, Devadasan Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, C(17)H(17)N(3)O(2)S, consists of two independent mol­ecules, A and B, with different conformations: in mol­ecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamo­thio­ylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in mol­ecule B are 50.56 (12) and 26.43 (11)°, respectively. Both mol­ecules feature an intra­molecular N—H⋯N hydrogen bond, which closes an S(5) ring. In the crystal, mol­ecules are linked by N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds, generating a three-dimensional network. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331904/ /pubmed/25705498 http://dx.doi.org/10.1107/S2056989014026942 Text en © Mani et al. 2015 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
Mani, Karthik Ananth
Viswanathan, Vijayan
Narasimhan, S.
Velmurugan, Devadasan
Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate
title Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate
title_full Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate
title_fullStr Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate
title_full_unstemmed Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate
title_short Crystal structure of (E)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate
title_sort crystal structure of (e)-4-{1-[2-(car­bamo­thio­yl)hydrazin-1-yl­idene]ethyl}phenyl 4-methyl­benzoate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331904/
https://www.ncbi.nlm.nih.gov/pubmed/25705498
http://dx.doi.org/10.1107/S2056989014026942
work_keys_str_mv AT manikarthikananth crystalstructureofe412carbamothioylhydrazin1ylideneethylphenyl4methylbenzoate
AT viswanathanvijayan crystalstructureofe412carbamothioylhydrazin1ylideneethylphenyl4methylbenzoate
AT narasimhans crystalstructureofe412carbamothioylhydrazin1ylideneethylphenyl4methylbenzoate
AT velmurugandevadasan crystalstructureofe412carbamothioylhydrazin1ylideneethylphenyl4methylbenzoate

Ejemplares similares