Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-di-methyl-phen-yl)-5-(4-nitro-phen-yl)-2 H -1,2,3-triazole.

Autor: Maharramov A; Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan., Shikhaliyev NQ; Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan., Abdullayeva A; Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan., Atakishiyeva GT; Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan., Niyazova A; Department of Engineering and Applied Sciences, Azerbaijan State University of Economics, M. Mukhtarov 194, Baku AZ1001, Azerbaijan., Khrustalev VN; Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow, 117198, Russian Federation.; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, Russian Federation., Gahramanova SI; Institute of Catalysis and Inorganic Chemistry , 113 H. Javid Ave., AZ1143 Baku, Azerbaijan., Atioğlu Z; Department of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapaşa, 50420 Ürgüp, Nevşehir, Türkiye., Akkurt M; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye., Bhattarai A; Department of Chemistry, M.M.A.M.C (Tribhuvan University) Biratnagar, Nepal.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2023 Sep 14; Vol. 79 (Pt 10), pp. 905-909. Date of Electronic Publication: 2023 Sep 14 (Print Publication: 2023).
DOI: 10.1107/S2056989023007855
Abstrakt: In the title compound, C 16 H 13 N 7 O 2 , the 3,5-di-methyl-phenyl and 4-nitro-phenyl rings are inclined to the central 2 H -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 mol-ecules are linked by C-H⋯N hydrogen bonds and π-π stacking inter-actions [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 inter-actions 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.
(© Maharramov et al. 2023.)
Databáze: MEDLINE
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