Crystal structure and Hirshfeld surface analysis of (Z)-N′-(4-meth­oxy­benzo[d]thia­zol-2-yl)-3,6-di-p-tolyl-1,2,4-triazine-5-carboximidamide

Shtaitz Y. K., Kopchuk D. S., Gaviko V. S., Ekberov N. A., AKKURT M., Manahelohe G. M., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.82, ss.1029-1034, 2026 (ESCI, Scopus)

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 82
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1107/s2056989026007760
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.1029-1034
  • Anahtar Kelimeler: 1,2,4-triazine, 1,3-benzo­thia­zole, crystal structure, Hirshfeld surface analysis, hydrogen bonds
  • Erciyes Üniversitesi Adresli: Evet

Özet

The title mol­ecule, C26H22N6OS, has a stable conformation due to two intra­molecular N—H⋯·N hydrogen bonds that produce fused S(5) and S(6) rings. Layers parallel to the (010) plane are formed in the crystal by inter­molecular C—H⋯O and C—H⋯N hydrogen bonding. Additionally, C—H⋯π and π–π [centroid-to-centroid distance = 3.7380 (12) Å] inter­actions link the mol­ecules, creating ribbons along the a-axis direction. The inter­molecular inter­actions were qu­anti­fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, which revealed the relative contributions of H⋯H (48.6%), C⋯H/H⋯C (18.8%), and N⋯H/H⋯N (12.0%) contacts to the crystal packing.