Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2H-1,2,3-triazole

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Maharramov A., Shikhaliyev N. Q., Abdullayeva A., Atakishiyeva G. T., Niyazova A., Khrustalev V. N., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.79, ss.905-909, 2023 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 79
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1107/s2056989023007855
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.905-909
  • Anahtar Kelimeler: 2, 3-triazole; Hirshfeld surface analysis, crystal structure; hydrogen bonds; azido group; 2H-1
  • Erciyes Üniversitesi Adresli: Evet

Özet

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 baxis 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 HH (31.5%), NH/H. . .N (19.2%), OH/H/O (14.5%), N. . . C/C. . . C (10.9%) and C. . .H/HC (10.2%) contacts.