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Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
In the title chalcone derivative, C(16)H(11)ClF(2)O(2), the enone group adopts an E conformation. The dihedral angle between the benzene rings is 0.47 (9)° and an intramolecular C—H⋯F hydrogen bond closes an S(6) ring. In the crystal, molecules are linked into a three-dimensional network by C—H⋯O...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908511/ https://www.ncbi.nlm.nih.gov/pubmed/27308026 http://dx.doi.org/10.1107/S2056989016006526 |
| _version_ | 1782437694944575488 |
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| author | Hassan, Nur Hafiq Hanif Abdullah, Amzar Ahlami Arshad, Suhana Khalib, Nuridayanti Che Razak, Ibrahim Abdul |
| author_facet | Hassan, Nur Hafiq Hanif Abdullah, Amzar Ahlami Arshad, Suhana Khalib, Nuridayanti Che Razak, Ibrahim Abdul |
| author_sort | Hassan, Nur Hafiq Hanif |
| collection | PubMed |
| description | In the title chalcone derivative, C(16)H(11)ClF(2)O(2), the enone group adopts an E conformation. The dihedral angle between the benzene rings is 0.47 (9)° and an intramolecular C—H⋯F hydrogen bond closes an S(6) ring. In the crystal, molecules are linked into a three-dimensional network by C—H⋯O hydrogen bonds and aromatic π–π stacking interactions are also observed [centroid–centroid separation = 3.5629 (18) Å]. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis. |
| format | Online Article Text |
| id | pubmed-4908511 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2016 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-49085112016-06-15 Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one Hassan, Nur Hafiq Hanif Abdullah, Amzar Ahlami Arshad, Suhana Khalib, Nuridayanti Che Razak, Ibrahim Abdul Acta Crystallogr E Crystallogr Commun Research Communications In the title chalcone derivative, C(16)H(11)ClF(2)O(2), the enone group adopts an E conformation. The dihedral angle between the benzene rings is 0.47 (9)° and an intramolecular C—H⋯F hydrogen bond closes an S(6) ring. In the crystal, molecules are linked into a three-dimensional network by C—H⋯O hydrogen bonds and aromatic π–π stacking interactions are also observed [centroid–centroid separation = 3.5629 (18) Å]. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis. International Union of Crystallography 2016-04-22 /pmc/articles/PMC4908511/ /pubmed/27308026 http://dx.doi.org/10.1107/S2056989016006526 Text en © Hassan et al. 2016 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 | Research Communications Hassan, Nur Hafiq Hanif Abdullah, Amzar Ahlami Arshad, Suhana Khalib, Nuridayanti Che Razak, Ibrahim Abdul Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one |
| title | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one |
| title_full | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one |
| title_short | Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one |
| title_sort | crystal structure and hirshfeld surface analysis of (e)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908511/ https://www.ncbi.nlm.nih.gov/pubmed/27308026 http://dx.doi.org/10.1107/S2056989016006526 |
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