Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide
The asymmetric unit of the title compound, C23H19NO2S, contains two molecules that differ in the conformation of the two carboxamide moieties. In the crystal, intermolecular N—H...O hydrogen bonds link the molecules into chains propagating parallel to the c-axis direction. Between the molecules, wea...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2025-02-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S205698902500057X |
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| author | Khatira N. Aliyeva Tuncer Hökelek Victor N. Khrustalev Rovnag M. Rzayev Ajaya Bhattarai Abel M. Maharramov Namig G. Shikhaliyev |
| author_facet | Khatira N. Aliyeva Tuncer Hökelek Victor N. Khrustalev Rovnag M. Rzayev Ajaya Bhattarai Abel M. Maharramov Namig G. Shikhaliyev |
| author_sort | Khatira N. Aliyeva |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C23H19NO2S, contains two molecules that differ in the conformation of the two carboxamide moieties. In the crystal, intermolecular N—H...O hydrogen bonds link the molecules into chains propagating parallel to the c-axis direction. Between the molecules, weak C—H...π(ring) interactions are present, whereas π–π interactions are not observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H...H (47.6%), H...C/C...H (33.4%) and H...O/O...H (11.6%) interactions. Orientational disorder is observed for both thiophene rings. |
| format | Article |
| id | doaj-art-e616fb15e4a04dc0a71880ba3511a026 |
| institution | Kabale University |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-e616fb15e4a04dc0a71880ba3511a0262025-02-06T07:27:17ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-02-0181217718210.1107/S205698902500057Xwm5747Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamideKhatira N. Aliyeva0Tuncer Hökelek1Victor N. Khrustalev2Rovnag M. Rzayev3Ajaya Bhattarai4Abel M. Maharramov5Namig G. Shikhaliyev6Department of Chemistry, Baku State University, Z. Xalilov Str. 23, AZ 1148 Baku, AzerbaijanHacettepe University, Department of Physics, 06800 Beytepe-Ankara, TürkiyeFriendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow 117198, Russian Federation`Composite materials' Scientific Research Center, Azerbaijan State Economic University (UNEC), Murtuza Mukhtarov Str. 194, AZ 1065, Baku, AzerbaijanDepartment of Chemistry, M. M. A. M. C. (Tribhuvan University), Biratnagar, NepalDepartment of Chemistry, Baku State University, Z. Xalilov Str. 23, AZ 1148 Baku, AzerbaijanDepartment of Chemical Engineering, Baku Engineering University, Hasan Aliyev Str. 120, AZ 0101 Baku, AzerbaijanThe asymmetric unit of the title compound, C23H19NO2S, contains two molecules that differ in the conformation of the two carboxamide moieties. In the crystal, intermolecular N—H...O hydrogen bonds link the molecules into chains propagating parallel to the c-axis direction. Between the molecules, weak C—H...π(ring) interactions are present, whereas π–π interactions are not observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H...H (47.6%), H...C/C...H (33.4%) and H...O/O...H (11.6%) interactions. Orientational disorder is observed for both thiophene rings.https://journals.iucr.org/paper?S205698902500057Xcrystal structurecarboxamidehydrogen bondthiophene disorderbiphenyl-4-carboxamide |
| spellingShingle | Khatira N. Aliyeva Tuncer Hökelek Victor N. Khrustalev Rovnag M. Rzayev Ajaya Bhattarai Abel M. Maharramov Namig G. Shikhaliyev Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide Acta Crystallographica Section E: Crystallographic Communications crystal structure carboxamide hydrogen bond thiophene disorder biphenyl-4-carboxamide |
| title | Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide |
| title_full | Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide |
| title_fullStr | Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide |
| title_full_unstemmed | Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide |
| title_short | Synthesis, crystal structure and Hirshfeld surface analysis of 5-oxo-N-phenyl-3-(thiophen-2-yl)-2,3,4,5-tetrahydro-[1,1′-biphenyl]-4-carboxamide |
| title_sort | synthesis crystal structure and hirshfeld surface analysis of 5 oxo n phenyl 3 thiophen 2 yl 2 3 4 5 tetrahydro 1 1 biphenyl 4 carboxamide |
| topic | crystal structure carboxamide hydrogen bond thiophene disorder biphenyl-4-carboxamide |
| url | https://journals.iucr.org/paper?S205698902500057X |
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