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Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole
In the title compound, C(18)H(16)ClNO(2)S, the thiazole ring subtends dihedral angles of 13.12 (14) and 43.79 (14) ° with the attached chlorophenyl and phenyl rings, respectively. In the crystal, C—H⋯π interactions link the molecules, forming a three-dimensional network. The roles of the various...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431783/ https://www.ncbi.nlm.nih.gov/pubmed/36072143 http://dx.doi.org/10.1107/S2056989022005564 |
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| author | Guseinov, Firudin I. Kobrakov, Konstantin I. Shuvalova, Elena V. Tuzharov, Egor I. Akkurt, Mehmet Yıldırım, Sema Öztürk Bhattarai, Ajaya |
| author_facet | Guseinov, Firudin I. Kobrakov, Konstantin I. Shuvalova, Elena V. Tuzharov, Egor I. Akkurt, Mehmet Yıldırım, Sema Öztürk Bhattarai, Ajaya |
| author_sort | Guseinov, Firudin I. |
| collection | PubMed |
| description | In the title compound, C(18)H(16)ClNO(2)S, the thiazole ring subtends dihedral angles of 13.12 (14) and 43.79 (14) ° with the attached chlorophenyl and phenyl rings, respectively. In the crystal, C—H⋯π interactions link the molecules, forming a three-dimensional network. The roles of the various intermolecular interactions were clarified by Hirshfeld surface analysis, which reveals that the most important contributions to the crystal packing are from H⋯H (39.2%), H⋯C/C⋯H (25.2%), Cl⋯H/H⋯Cl (11.4%) and O⋯H/H⋯O (8.0%) contacts. |
| format | Online Article Text |
| id | pubmed-9431783 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2022 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-94317832022-09-06 Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole Guseinov, Firudin I. Kobrakov, Konstantin I. Shuvalova, Elena V. Tuzharov, Egor I. Akkurt, Mehmet Yıldırım, Sema Öztürk Bhattarai, Ajaya Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(18)H(16)ClNO(2)S, the thiazole ring subtends dihedral angles of 13.12 (14) and 43.79 (14) ° with the attached chlorophenyl and phenyl rings, respectively. In the crystal, C—H⋯π interactions link the molecules, forming a three-dimensional network. The roles of the various intermolecular interactions were clarified by Hirshfeld surface analysis, which reveals that the most important contributions to the crystal packing are from H⋯H (39.2%), H⋯C/C⋯H (25.2%), Cl⋯H/H⋯Cl (11.4%) and O⋯H/H⋯O (8.0%) contacts. International Union of Crystallography 2022-05-27 /pmc/articles/PMC9431783/ /pubmed/36072143 http://dx.doi.org/10.1107/S2056989022005564 Text en © Guseinov et al. 2022 https://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. |
| spellingShingle | Research Communications Guseinov, Firudin I. Kobrakov, Konstantin I. Shuvalova, Elena V. Tuzharov, Egor I. Akkurt, Mehmet Yıldırım, Sema Öztürk Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole |
| title | Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole |
| title_full | Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole |
| title_short | Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole |
| title_sort | crystal structure and hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431783/ https://www.ncbi.nlm.nih.gov/pubmed/36072143 http://dx.doi.org/10.1107/S2056989022005564 |
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