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Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide
In the title compound, C(17)H(20)ClN(3)OS, the mean plane of the central thiourea core makes dihedral angles of 26.56 (9) and 47.62 (12)° with the mean planes of the chromene moiety and the cyclohexyl ring, respectively. The cyclohexyl ring adopts a chair conformation. The N–H atoms of the thiou...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186115/ https://www.ncbi.nlm.nih.gov/pubmed/25309214 http://dx.doi.org/10.1107/S1600536814018509 |
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author | Gangadharan, Rajeswari Haribabu, Jebiti Karvembu, Ramasamy Sethusankar, K. |
author_facet | Gangadharan, Rajeswari Haribabu, Jebiti Karvembu, Ramasamy Sethusankar, K. |
author_sort | Gangadharan, Rajeswari |
collection | PubMed |
description | In the title compound, C(17)H(20)ClN(3)OS, the mean plane of the central thiourea core makes dihedral angles of 26.56 (9) and 47.62 (12)° with the mean planes of the chromene moiety and the cyclohexyl ring, respectively. The cyclohexyl ring adopts a chair conformation. The N–H atoms of the thiourea unit adopt an anti conformation. The chromene group is positioned trans, whereas the cyclohexyl ring lies in the cis position to the thione S atom, with respect to the thiourea C—N bond. In the crystal, molecules are linked by N—H⋯S hydrogen bonds, forming inversion dimers enclosing R (2) (2)(8) ring motifs. The dimers are linked by C—H⋯Cl hydrogen bonds, enclosing R (6) (6)(44) ring motifs, forming sheets lying parallel to (010). |
format | Online Article Text |
id | pubmed-4186115 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41861152014-10-12 Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide Gangadharan, Rajeswari Haribabu, Jebiti Karvembu, Ramasamy Sethusankar, K. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(17)H(20)ClN(3)OS, the mean plane of the central thiourea core makes dihedral angles of 26.56 (9) and 47.62 (12)° with the mean planes of the chromene moiety and the cyclohexyl ring, respectively. The cyclohexyl ring adopts a chair conformation. The N–H atoms of the thiourea unit adopt an anti conformation. The chromene group is positioned trans, whereas the cyclohexyl ring lies in the cis position to the thione S atom, with respect to the thiourea C—N bond. In the crystal, molecules are linked by N—H⋯S hydrogen bonds, forming inversion dimers enclosing R (2) (2)(8) ring motifs. The dimers are linked by C—H⋯Cl hydrogen bonds, enclosing R (6) (6)(44) ring motifs, forming sheets lying parallel to (010). International Union of Crystallography 2014-08-23 /pmc/articles/PMC4186115/ /pubmed/25309214 http://dx.doi.org/10.1107/S1600536814018509 Text en © Gangadharan 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 Gangadharan, Rajeswari Haribabu, Jebiti Karvembu, Ramasamy Sethusankar, K. Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide |
title | Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide |
title_full | Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide |
title_fullStr | Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide |
title_full_unstemmed | Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide |
title_short | Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide |
title_sort | crystal structure of (e)-2-[(4-chloro-2h-chromen-3-yl)methylidene]-n-cyclohexylhydrazinecarbothioamide |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186115/ https://www.ncbi.nlm.nih.gov/pubmed/25309214 http://dx.doi.org/10.1107/S1600536814018509 |
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