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Crystal structure and Hirshfeld surface analysis of 5-oxo-7-phenyl-2-(phenyl-amino)-1 H -[1,2,4]triazolo[1,5- a ]pyridine-6,8-dicarbo-nitrile dimethyl sulfoxide monosolvate.

Farid N NaghiyevVictor N KhrustalevHuseyn M MamedovMehmet AkkurtAli N KhalilovAjaya Bhattaraiİbrahim G Mamedov
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
In the title compound, C 20 H 12 N 6 O·C 2 H 6 OS, the [1,2,4]triazolo[1,5- a ]pyridine ring system is almost planar and makes dihedral angles of 16.33 (7) and 46.80 (7)°, respectively, with the phenyl-amino and phenyl rings. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds into chains along the b- axis direction through the dimethyl sulfoxide solvent mol-ecule, forming C (10) R 2 1 (6) motifs. These chains are connected via S-O⋯π inter-actions, π-π stacking inter-actions between the pyridine rings [centroid-to-centroid distance = 3.6662 (9) Å] and van der Waals inter-actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (28.1%), C⋯H/H⋯C (27.2%), N⋯H/H⋯N (19.4%) and O⋯H/H⋯O (9.8%) inter-actions.
Keyphrases
  • crystal structure
  • ionic liquid
  • single molecule