Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
In the title compound, C16H13BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C—H...O interactions along the b axis. Successive chains form a zigzag structure alo...
| Published in: | Acta Crystallographica Section E: Crystallographic Communications |
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| Main Authors: | , , , , , , |
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2023-09-01
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| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989023007387 |
| _version_ | 1851858502501269504 |
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| author | Mehmet Akkurt Farid N. Naghiyev Victor N. Khrustalev Khammed A. Asadov Ali N. Khalilov Ajaya Bhattarai İbrahim G. Mamedov |
| author_facet | Mehmet Akkurt Farid N. Naghiyev Victor N. Khrustalev Khammed A. Asadov Ali N. Khalilov Ajaya Bhattarai İbrahim G. Mamedov |
| author_sort | Mehmet Akkurt |
| collection | DOAJ |
| container_title | Acta Crystallographica Section E: Crystallographic Communications |
| description | In the title compound, C16H13BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C—H...O interactions along the b axis. Successive chains form a zigzag structure along the c axis, and these chains are connected to each other by face-to-face π–π stacking interactions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals interactions, thus consolidating the crystal structure. Hirshfeld surface analysis showed that the most significant contacts in the structure are H...H (43.1%), C...H/H...C (17.4%), Br...H/H...Br (14.9%), C...C (11.9%) and O...H/H...O (9.8%). |
| format | Article |
| id | doaj-art-7bf8b8ff9d874e61baee0afe53fb6d30 |
| institution | Directory of Open Access Journals |
| issn | 2056-9890 |
| language | English |
| publishDate | 2023-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| spelling | doaj-art-7bf8b8ff9d874e61baee0afe53fb6d302025-08-19T22:21:33ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902023-09-0179984785110.1107/S2056989023007387tx2073Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-oneMehmet Akkurt0Farid N. Naghiyev1Victor N. Khrustalev2Khammed A. Asadov3Ali N. Khalilov4Ajaya Bhattarai5İbrahim G. Mamedov6Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TürkiyeDepartment of Chemistry, Baku State University, Z. Khalilov str. 23, AZ1148, Baku, AzerbaijanPeoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow 117198, Russian FederationDepartment of Chemistry, Baku State University, Z. Khalilov str. 23, AZ1148, Baku, AzerbaijanDepartment of Chemistry, Baku State University, Z. Khalilov str. 23, AZ1148, Baku, AzerbaijanDepartment of Chemistry, M.M.A.M.C. (Tribhuvan University) Biratnagar, NepalDepartment of Chemistry, Baku State University, Z. Khalilov str. 23, AZ1148, Baku, AzerbaijanIn the title compound, C16H13BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C—H...O interactions along the b axis. Successive chains form a zigzag structure along the c axis, and these chains are connected to each other by face-to-face π–π stacking interactions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals interactions, thus consolidating the crystal structure. Hirshfeld surface analysis showed that the most significant contacts in the structure are H...H (43.1%), C...H/H...C (17.4%), Br...H/H...Br (14.9%), C...C (11.9%) and O...H/H...O (9.8%).http://scripts.iucr.org/cgi-bin/paper?S2056989023007387crystal structuree configurationweak c—h...o interactionsface-to-face π–π stacking interactionshirshfeld surface analysis |
| spellingShingle | Mehmet Akkurt Farid N. Naghiyev Victor N. Khrustalev Khammed A. Asadov Ali N. Khalilov Ajaya Bhattarai İbrahim G. Mamedov Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one crystal structure e configuration weak c—h...o interactions face-to-face π–π stacking interactions hirshfeld surface analysis |
| title | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
| title_full | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
| title_short | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
| title_sort | crystal structure and hirshfeld surface analysis of 2e 1 4 bromophenyl 3 2 methylphenyl prop 2 en 1 one |
| topic | crystal structure e configuration weak c—h...o interactions face-to-face π–π stacking interactions hirshfeld surface analysis |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989023007387 |
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