Crystal structure and Hirshfeld surface analysis of 3-amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetrahydroisoquinoline-4-carbonitrile

In the title compound, C28H21N3O, the 1,2-dihydropyridine ring of the 1,2,7,8-tetrahydroisoquinoline ring system is planar as expected, while the cyclohexa-1,3-diene ring has a twist-boat conformation, with Cremer-Pople parameters Q T = 0.367(2)A, θ = 117.3(3)° and φ = 327.3(4)°. The dihedral angles between the best planes through the isoquinoline ring system and the three phenyl rings are 81.69(12), 82.45(11) and 47.36(10)°. In the crystal, molecules are linked via N - H⋯O and C - H⋯N hydrogen bonds, forming a three-dimensional network. Furthermore, the crystal packing is dominated by C - H⋯π bonds with a strong interaction involving the phenyl H atoms. The role of the intermolecular interactions in the crystal packing was clarified using Hirshfeld surface analysis, and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (46.0%), C⋯H/H⋯C (35.1%) and N⋯H/H⋯N (10.5%) contacts. © 2021.