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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

Authors :
Abel Maharramov
Namiq Q. Shikhaliyev
Afaq Abdullayeva
Gulnar T. Atakishiyeva
Ayten Niyazova
Victor N. Khrustalev
Shahnaz I. Gahramanova
Zeliha Atioğlu
Mehmet Akkurt
Ajaya Bhattarai
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