Crystal structure and Hirshfeld surface analysis of (E)-2-[2-(2-amino-1-cyano-2-oxoethylidene)hydrazin- 1-yI]benzoic acid N,N-dimethylformamide monosolvate

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Hajiyeva S. R., Huseynov F. E., Atioğlu Z., AKKURT M., Bhattarai A.

Acta Crystallographica Section E: Crystallographic Communications, cilt.80, ss.110-116, 2024 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 80
  • Basım Tarihi: 2024
  • Doi Numarası: 10.1107/s2056989023011118
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.110-116
  • Anahtar Kelimeler: crystal structure, Hirshfeld surface analysis, hydrogen bonds, ring motifs, π–π stacking interactions
  • Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C10H8N4O3•C3H7NO, the asymmetric unit contains two crystallographically independent molecules A and B, each of which has one DMF solvate molecule. Molecules A and B both feature intramolecular N—H⋯O hydrogen bonds, forming S(6) ring motifs and consolidating the molecular configuration. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds connect molecules A and B, forming [Formula presented] ring motifs. Weak C—H⋯O interactions link the molecules, forming layers parallel to the [Formula presented] plane. The DMF solvent molecules are also connected to the main molecules (A and B) by N—H⋯O hydrogen bonds. π–π stacking interactions [centroid-to-centroid distance = 3.8702 (17) Å ] between the layers also increase the stability of the molecular structure in the third dimension. According to the Hirshfeld surface study, O⋯H/H⋯O interactions are the most significant contributors to the crystal packing (27.5% for molecule A and 25.1% for molecule B).