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Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate
In the title compounds, C(11)H(13)N(3)O(2)S, (I), and C(16)H(15)N(3)O(2)S, (II), the thiosemicarbazone group adopts an extended conformation. The acetate ester (I) crystallizes with two independent molecules in the asymmetric unit. In the benzoate ester (II), the planes of the two aryl rings are i...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5209762/ https://www.ncbi.nlm.nih.gov/pubmed/28083126 http://dx.doi.org/10.1107/S2056989016018983 |
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author | Viswanathan, Vijayan Ananth, Mani Karthik Narasimhan, S. Velmurugan, Devadasan |
author_facet | Viswanathan, Vijayan Ananth, Mani Karthik Narasimhan, S. Velmurugan, Devadasan |
author_sort | Viswanathan, Vijayan |
collection | PubMed |
description | In the title compounds, C(11)H(13)N(3)O(2)S, (I), and C(16)H(15)N(3)O(2)S, (II), the thiosemicarbazone group adopts an extended conformation. The acetate ester (I) crystallizes with two independent molecules in the asymmetric unit. In the benzoate ester (II), the planes of the two aryl rings are inclined to one another by 46.70 (7)°. In both compounds, there is a short intramolecular N—H⋯N contact present, forming an S(5) ring motif. In the crystals of both compounds, molecules are linked via pairs of N—H⋯S hydrogen bonds, forming dimers with R (2) (2)(8) ring motifs. The dimers are linked by N—H⋯S and N—H⋯O hydrogen bonds, forming slabs parallel to (01-1). In (I), there are N—H⋯π and C—H⋯π interactions present within the slabs, while in (II), there are only N—H⋯π interactions present. |
format | Online Article Text |
id | pubmed-5209762 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-52097622017-01-12 Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate Viswanathan, Vijayan Ananth, Mani Karthik Narasimhan, S. Velmurugan, Devadasan Acta Crystallogr E Crystallogr Commun Research Communications In the title compounds, C(11)H(13)N(3)O(2)S, (I), and C(16)H(15)N(3)O(2)S, (II), the thiosemicarbazone group adopts an extended conformation. The acetate ester (I) crystallizes with two independent molecules in the asymmetric unit. In the benzoate ester (II), the planes of the two aryl rings are inclined to one another by 46.70 (7)°. In both compounds, there is a short intramolecular N—H⋯N contact present, forming an S(5) ring motif. In the crystals of both compounds, molecules are linked via pairs of N—H⋯S hydrogen bonds, forming dimers with R (2) (2)(8) ring motifs. The dimers are linked by N—H⋯S and N—H⋯O hydrogen bonds, forming slabs parallel to (01-1). In (I), there are N—H⋯π and C—H⋯π interactions present within the slabs, while in (II), there are only N—H⋯π interactions present. International Union of Crystallography 2017-01-01 /pmc/articles/PMC5209762/ /pubmed/28083126 http://dx.doi.org/10.1107/S2056989016018983 Text en © Viswanathan et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Viswanathan, Vijayan Ananth, Mani Karthik Narasimhan, S. Velmurugan, Devadasan Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate |
title | Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate |
title_full | Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate |
title_fullStr | Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate |
title_full_unstemmed | Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate |
title_short | Crystal structures of (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate |
title_sort | crystal structures of (e)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl acetate and (e)-4-[1-(2-carbamothioylhydrazinylidene)ethyl]phenyl benzoate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5209762/ https://www.ncbi.nlm.nih.gov/pubmed/28083126 http://dx.doi.org/10.1107/S2056989016018983 |
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