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Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di-cyano-methyl-idene)hydrazin-1-yl]-2,4,6-tri-iodo-isophthalic acid ethanol monosolvate.

Fargana S AliyevaGunay Z MammadovaMehmet AkkurtSevim Türktekin ÇelikesirAjaya Bhattarai
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
The title compound, C 11 H 3 I 3 N 4 O 4 ·C 2 H 6 O, crystallizes in the triclinic P space group with one independent mol-ecule and one ethanol solvent mol-ecule in the asymmetric unit. The benzene ring and the methyl-carbonohydrazonoyl dicyanide group of the main mol-ecule makes a dihedral angle of 57.91 (16)°. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link pairs of mol-ecules, forming dimers with R 2 2 (14) motifs. These dimers are connected by O-H⋯O hydrogen bonds into chains along the a- axis direction, forming R 2 2 (16) ring motifs. Further O-H⋯O inter-actions involving the ethanol solvent mol-ecule connect the chains into a three-dimensional network. In addition, C-I⋯π inter-actions are observed. The inter-molecular inter-actions in the crystal structure were qu-anti-fied and analysed using Hirshfeld surface analysis.
Keyphrases
  • crystal structure
  • escherichia coli
  • staphylococcus aureus
  • mass spectrometry
  • single molecule