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Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate
In the title compound, C(25)H(22)N(2)O(3)S·0.04H(2)O, the central cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by N—H⋯O, C—H⋯O, and C—H⋯N hydrogen bonds, forming the molecular layers parallel to the bc plane, which interact by the van der Waals forces betwee...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8025867/ https://www.ncbi.nlm.nih.gov/pubmed/33936759 http://dx.doi.org/10.1107/S2056989021002449 |
| _version_ | 1783675571023118336 |
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| author | Naghiyev, Farid N. Khrustalev, Victor N. Akkurt, Mehmet Huseynov, Elnur Z. Khalilov, Ali N. Akobirshoeva, Anzurat A. Mamedov, İbrahim G. |
| author_facet | Naghiyev, Farid N. Khrustalev, Victor N. Akkurt, Mehmet Huseynov, Elnur Z. Khalilov, Ali N. Akobirshoeva, Anzurat A. Mamedov, İbrahim G. |
| author_sort | Naghiyev, Farid N. |
| collection | PubMed |
| description | In the title compound, C(25)H(22)N(2)O(3)S·0.04H(2)O, the central cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by N—H⋯O, C—H⋯O, and C—H⋯N hydrogen bonds, forming the molecular layers parallel to the bc plane, which interact by the van der Waals forces between them. A Hirshfeld surface analysis indicates that the contributions from the most prevalent interactions are H⋯H (41.2%), C⋯H/H⋯C (20.3%), O⋯H/H⋯O (17.8%) and N⋯H/H⋯N (10.6%). |
| format | Online Article Text |
| id | pubmed-8025867 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2021 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-80258672021-04-30 Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate Naghiyev, Farid N. Khrustalev, Victor N. Akkurt, Mehmet Huseynov, Elnur Z. Khalilov, Ali N. Akobirshoeva, Anzurat A. Mamedov, İbrahim G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(25)H(22)N(2)O(3)S·0.04H(2)O, the central cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked by N—H⋯O, C—H⋯O, and C—H⋯N hydrogen bonds, forming the molecular layers parallel to the bc plane, which interact by the van der Waals forces between them. A Hirshfeld surface analysis indicates that the contributions from the most prevalent interactions are H⋯H (41.2%), C⋯H/H⋯C (20.3%), O⋯H/H⋯O (17.8%) and N⋯H/H⋯N (10.6%). International Union of Crystallography 2021-03-09 /pmc/articles/PMC8025867/ /pubmed/33936759 http://dx.doi.org/10.1107/S2056989021002449 Text en © Naghiyev et al. 2021 http://creativecommons.org/licenses/by/4.0/ 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/4.0/ |
| spellingShingle | Research Communications Naghiyev, Farid N. Khrustalev, Victor N. Akkurt, Mehmet Huseynov, Elnur Z. Khalilov, Ali N. Akobirshoeva, Anzurat A. Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate |
| title | Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate |
| title_full | Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate |
| title_short | Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-N-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate |
| title_sort | crystal structure and hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-n-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8025867/ https://www.ncbi.nlm.nih.gov/pubmed/33936759 http://dx.doi.org/10.1107/S2056989021002449 |
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