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Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2H-1,2,3-triazole
- Source :
- Acta Crystallographica Section E: Crystallographic Communications, Vol 79, Iss 10, Pp 905-909 (2023)
- Publication Year :
- 2023
- Publisher :
- International Union of Crystallography, 2023.
-
Abstract
- In the title compound, C16H13N7O2, the 3,5-dimethylphenyl and 4-nitrophenyl rings are inclined to the central 2H-1,2,3-triazole ring by 1.80 (7) and 1.79 (7)°, respectively, and to one another by 2.16 (7)°. In the crystal, the molecules are linked by C—H...N hydrogen bonds and π–π stacking interactions [centroid-to-centroid distances = 3.7295 (9) and 3.7971 (9) Å], forming ribbons along the b-axis direction. These ribbons are connected to each other by weak van der Waals interactions and the stability of the crystal structure is ensured. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H...H (31.5%), N...H/H...N (19.2%), O...H/H...O (14.5%), N...C/C...C (10.9%) and C...H/H...C (10.2%) contacts.
Details
- Language :
- English
- ISSN :
- 20569890
- Volume :
- 79
- Issue :
- 10
- Database :
- Directory of Open Access Journals
- Journal :
- Acta Crystallographica Section E: Crystallographic Communications
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.2adc11de3c8485daa6318be82c0962d
- Document Type :
- article
- Full Text :
- https://doi.org/10.1107/S2056989023007855