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Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one
In the title chalcone–thiophene derivative, C(13)H(6)Cl(3)FOS, the aromatic rings are inclined to one another by 12.9 (2)°, and the thiophene ring is affected by π-conjugation. In the crystal, molecules are linked by C—H⋯F hydrogen bonds, forming an R (2) (2)(8) ring motif. A Hirshfeld surface an...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6073002/ https://www.ncbi.nlm.nih.gov/pubmed/30116578 http://dx.doi.org/10.1107/S2056989018010216 |
| _version_ | 1783344095564922880 |
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| author | Sanjeeva Murthy, T. N. Naveen, S. Chidan Kumar, C. S. Veeraiah, M. K. Quah, Ching Kheng Siddaraju, B. P. Warad, Ismail |
| author_facet | Sanjeeva Murthy, T. N. Naveen, S. Chidan Kumar, C. S. Veeraiah, M. K. Quah, Ching Kheng Siddaraju, B. P. Warad, Ismail |
| author_sort | Sanjeeva Murthy, T. N. |
| collection | PubMed |
| description | In the title chalcone–thiophene derivative, C(13)H(6)Cl(3)FOS, the aromatic rings are inclined to one another by 12.9 (2)°, and the thiophene ring is affected by π-conjugation. In the crystal, molecules are linked by C—H⋯F hydrogen bonds, forming an R (2) (2)(8) ring motif. A Hirshfeld surface analysis was conducted to verify the contribution of the different intermolecular interactions. The shape-index surface clearly shows that the two sides of the molecules are involved in the same contacts with neighbouring molecules and the curvedness plots show flat surface patches characteristic of planar stacking. |
| format | Online Article Text |
| id | pubmed-6073002 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2018 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-60730022018-08-16 Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one Sanjeeva Murthy, T. N. Naveen, S. Chidan Kumar, C. S. Veeraiah, M. K. Quah, Ching Kheng Siddaraju, B. P. Warad, Ismail Acta Crystallogr E Crystallogr Commun Research Communications In the title chalcone–thiophene derivative, C(13)H(6)Cl(3)FOS, the aromatic rings are inclined to one another by 12.9 (2)°, and the thiophene ring is affected by π-conjugation. In the crystal, molecules are linked by C—H⋯F hydrogen bonds, forming an R (2) (2)(8) ring motif. A Hirshfeld surface analysis was conducted to verify the contribution of the different intermolecular interactions. The shape-index surface clearly shows that the two sides of the molecules are involved in the same contacts with neighbouring molecules and the curvedness plots show flat surface patches characteristic of planar stacking. International Union of Crystallography 2018-07-24 /pmc/articles/PMC6073002/ /pubmed/30116578 http://dx.doi.org/10.1107/S2056989018010216 Text en © Sanjeeva Murthy et al. 2018 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 Sanjeeva Murthy, T. N. Naveen, S. Chidan Kumar, C. S. Veeraiah, M. K. Quah, Ching Kheng Siddaraju, B. P. Warad, Ismail Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one |
| title | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one |
| title_full | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one |
| title_short | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one |
| title_sort | crystal structure and hirshfeld surface analysis of (e)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6073002/ https://www.ncbi.nlm.nih.gov/pubmed/30116578 http://dx.doi.org/10.1107/S2056989018010216 |
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