Synthesis, characterization, crystal structure and Hirshfeld surface analysis of isobutyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Autor: | Sema Öztürk Yıldırım, Mehmet Akkurt, Gökalp Çetin, Rahime Şimşek, Ray J. Butcher, Ajaya Bhattarai |
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| Jazyk: | angličtina |
| Rok vydání: | 2023 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 79, Iss 12, Pp 1132-1136 (2023) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989023009623 |
| Popis: | In the title compound, C24H29F2NO4, which crystallizes in the orthorhombic Pca21 space group with Z = 4, the 1,4-dihydropyridine ring adopts a distorted boat conformation, while the cyclohexene ring is in a distorted half-chair conformation. In the crystal, the molecules are linked by N—H...O and C—H...O interactions, forming supramolecular chains parallel to the a axis. These chains pack with C—H...π interactions between them, forming layers parallel to the (010) plane. The cohesion of the crystal structure is ensured by van der Waals interactions between these layers. Hirshfeld surface analysis shows the major contributions to the crystal packing are from H...H (56.9%), F...H/H...F (15.7%), O...H/H...O (13.7%) and C...H/H...C (9.5%) contacts. |
| Databáze: | Directory of Open Access Journals |
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