Crystal structure and Hirshfeld surface analysis of 2-(4-amino-6-phenyl-1,2,5,6-tetra-hydro-1,3,5-triazin-2-yl-idene)malono-nitrile di-methyl-formamide hemisolvate.
Ibadulla MahmudovZeliha AtioğluMehmet AkkurtYusif AbdullayevAfsun SujayevAjaya BhattaraiPublished in: Acta crystallographica. Section E, Crystallographic communications (2022)
The title compound, 2C 12 H 10 N 6 ·C 3 H 7 NO, crystallizes as a racemate in the monoclinic P 2 1 / c space group with two independent mol-ecules ( I and II ) and one di-methyl-formamide solvent mol-ecule in the asymmetric unit. Both mol-ecules ( I and II ) have chiral centers at the carbon atoms where the triazine rings of mol-ecules I and II are attached to the phenyl ring. In the crystal, mol-ecules I and II are linked by inter-molecular N-H⋯N, N-H⋯O and C-H⋯N hydrogen bonds through the solvent di-methyl-formamide mol-ecule into layers parallel to (001). In addition, C-H⋯π inter-actions also connect adjacent mol-ecules into layers parallel to (001). The stability of the mol-ecular packing is ensured by van der Waals inter-actions between the layers. The Hirshfeld surface analysis indicates that N⋯H/H⋯N (38.3% for I ; 35.0% for II ), H⋯H (28.2% for I ; 27.0% for II ) and C⋯H/H⋯C (23.4% for I ; 26.3% for II ) inter-actions are the most significant contributors to the crystal packing.