Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(dicyanomethylidene)hydrazin-1-yl]-2,4,6-triiodoisophthalic acid ethanol monosolvate

Aliyeva F. S., Mammadova G. Z., AKKURT M., Çelikesir S., Bhattarai A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.79, ss.795-799, 2023 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 79
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1107/s205698902300676x
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI)
  • Sayfa Sayıları: ss.795-799
  • Anahtar Kelimeler: C - I...π interactions, crystal structure, Hirshfeld surface analysis, hydrogen bonds, three dimensional network
  • Erciyes Üniversitesi Adresli: Evet

Özet

The title compound, C11H3I3N4O4 center dot C2H6O, crystallizes in the triclinic P (1) over bar space group with one independent molecule and one ethanol solvent molecule in the asymmetric unit. The benzene ring and the methylcarbonohydrazonoyl dicyanide group of the main molecule makes a dihedral angle of 57.91 (16)degrees. In the crystal, O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link pairs of molecules, forming dimers with R-2(2) (14) motifs. These dimers are connected by O-H center dot center dot center dot O hydrogen bonds into chains along the a-axis direction, forming R22 (16) ring motifs. Further O-H center dot center dot center dot O interactions involving the ethanol solvent molecule connect the chains into a three-dimensional network. In addition, C-I center dot center dot center dot pi interactions are observed. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis.