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Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide
The title compound, C(26)H(31)N(3)O(2)S, crystallizes with two molecules (A and B) in the asymmetric unit. In each case, the piperidine ring exists in a twist-boat conformation. The dihedral angle between the phenyl rings is 46.16 (12)° in molecule A and 44.95 (12)° in molecule B. In both molecu...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571387/ https://www.ncbi.nlm.nih.gov/pubmed/26396787 http://dx.doi.org/10.1107/S2056989015012499 |
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| author | Mohandas, T. Krishnan, K. Gokula Balamurugan, S. Harrison, William T. A. Thanikachalam, V. Sakthivel, P. |
| author_facet | Mohandas, T. Krishnan, K. Gokula Balamurugan, S. Harrison, William T. A. Thanikachalam, V. Sakthivel, P. |
| author_sort | Mohandas, T. |
| collection | PubMed |
| description | The title compound, C(26)H(31)N(3)O(2)S, crystallizes with two molecules (A and B) in the asymmetric unit. In each case, the piperidine ring exists in a twist-boat conformation. The dihedral angle between the phenyl rings is 46.16 (12)° in molecule A and 44.95 (12)° in molecule B. In both molecules, the allyl side chain is disordered over two orientations in a 0.649 (9):0.351 (9) ratio for molecule A and 0.826 (10):0.174 (10) ratio for molecule B. In the crystal, neither molecule forms a hydrogen bond from its N—H group, presumably due to steric hindrance. A+A and B+B inversion dimers are formed, linked by pairs of weak C—H⋯O hydrogen bonds enclosing R (2) (2)(22) ring motifs. |
| format | Online Article Text |
| id | pubmed-4571387 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-45713872015-09-22 Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide Mohandas, T. Krishnan, K. Gokula Balamurugan, S. Harrison, William T. A. Thanikachalam, V. Sakthivel, P. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(26)H(31)N(3)O(2)S, crystallizes with two molecules (A and B) in the asymmetric unit. In each case, the piperidine ring exists in a twist-boat conformation. The dihedral angle between the phenyl rings is 46.16 (12)° in molecule A and 44.95 (12)° in molecule B. In both molecules, the allyl side chain is disordered over two orientations in a 0.649 (9):0.351 (9) ratio for molecule A and 0.826 (10):0.174 (10) ratio for molecule B. In the crystal, neither molecule forms a hydrogen bond from its N—H group, presumably due to steric hindrance. A+A and B+B inversion dimers are formed, linked by pairs of weak C—H⋯O hydrogen bonds enclosing R (2) (2)(22) ring motifs. International Union of Crystallography 2015-07-04 /pmc/articles/PMC4571387/ /pubmed/26396787 http://dx.doi.org/10.1107/S2056989015012499 Text en © Mohandas 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 Mohandas, T. Krishnan, K. Gokula Balamurugan, S. Harrison, William T. A. Thanikachalam, V. Sakthivel, P. Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_full | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_fullStr | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_full_unstemmed | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_short | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_sort | crystal structure of (e)-4-(acetoxyimino)-n-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571387/ https://www.ncbi.nlm.nih.gov/pubmed/26396787 http://dx.doi.org/10.1107/S2056989015012499 |
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