Crystal structure and Hirshfeld surface analysis of 3-amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetra-hydro-iso-quinoline-4-carbo-nitrile.

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作者:Naghiyev Farid N, Grishina Maria M, Khrustalev Victor N, Khalilov Ali N, Akkurt Mehmet, Akobirshoeva Anzurat A, Mamedov İbrahim G
In the title compound, C(28)H(21)N(3)O, the 1,2-di-hydro-pyridine ring of the 1,2,7,8-tetra-hydro-iso-quinoline ring system is planar as expected, while the cyclo-hexa-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 iso-quinoline ring system and the three phenyl rings are 81.69†(12), 82.45†(11) and 47.36†(10)°. In the crystal, mol-ecules 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 inter-action involving the phenyl H atoms. The role of the inter-molecular inter-actions 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.

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