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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

In the title compound, C(16)H(13)N(7)O(2), 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...

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Detalles Bibliográficos
Autores principales: Maharramov, Abel, Shikhaliyev, Namiq Q., Abdullayeva, Afaq, Atakishiyeva, Gulnar T., Niyazova, Ayten, Khrustalev, Victor N., Gahramanova, Shahnaz I., Atioğlu, Zeliha, Akkurt, Mehmet, Bhattarai, Ajaya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561200/
https://www.ncbi.nlm.nih.gov/pubmed/37817945
http://dx.doi.org/10.1107/S2056989023007855
Descripción
Sumario:In the title compound, C(16)H(13)N(7)O(2), 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.