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, C16H11ClF2O2, 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 hydr...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016
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| Subjects: | |
| Online Access: | http://eprints.usm.my/36880/1/%28Crystal_structure_and_Hirshfeld%29_hb7578.pdf |
| _version_ | 1825833555084705792 |
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| author | Hassan, Nur Hafiq Hanif Abdullah, Amzar Ahlami Arshad, Suhana Khaleb, Nuridayanti Che Razak, Ibrahim Abdul |
| author_facet | Hassan, Nur Hafiq Hanif Abdullah, Amzar Ahlami Arshad, Suhana Khaleb, Nuridayanti Che Razak, Ibrahim Abdul |
| author_sort | Hassan, Nur Hafiq Hanif |
| collection | USM |
| description | In the title chalcone derivative, C16H11ClF2O2, 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 [pi]-[pi] 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. |
| first_indexed | 2024-03-06T15:09:34Z |
| format | Article |
| id | usm.eprints-36880 |
| institution | Universiti Sains Malaysia |
| language | English |
| last_indexed | 2024-03-06T15:09:34Z |
| publishDate | 2016 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | usm.eprints-368802018-08-15T04:23:58Z http://eprints.usm.my/36880/ 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 Khaleb, Nuridayanti Che Razak, Ibrahim Abdul QC1 Physics (General) In the title chalcone derivative, C16H11ClF2O2, 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 [pi]-[pi] 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 Article PeerReviewed application/pdf en http://eprints.usm.my/36880/1/%28Crystal_structure_and_Hirshfeld%29_hb7578.pdf Hassan, Nur Hafiq Hanif and Abdullah, Amzar Ahlami and Arshad, Suhana and Khaleb, Nuridayanti Che and Razak, Ibrahim Abdul (2016) Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4- methoxyphenyl) prop-2-en-1-one. Acta Crystallographica Section E: Crystallographic Communications, 2016 (72). pp. 716-719. ISSN 2056-9890 http://dx.doi.org/10.1107/S2056989016006526 |
| spellingShingle | QC1 Physics (General) Hassan, Nur Hafiq Hanif Abdullah, Amzar Ahlami Arshad, Suhana Khaleb, 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 | QC1 Physics (General) |
| url | http://eprints.usm.my/36880/1/%28Crystal_structure_and_Hirshfeld%29_hb7578.pdf |
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