Title of article :
Crystal structure and Hirshfeld surface analysis of 3-amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetrahydroisoquinoline-4-carbonitrile
Author/Authors :
Naghiyev, Farid N. Department of Chemistry - Baku State University, Azerbaijan , Grishina, Maria M. Peoples' Friendship University of Russia (RUDN University), Russian Federation , Khrustalev, Victor N. Peoples' Friendship University of Russia (RUDN University), Russian Federation , Khalilov, Ali N. Department of Chemistry - Baku State University, Azerbaijan , Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Akobirshoev, Anzurat A. Acad. Sci. Republ. Tadzhikistan - Kh. Yu. Yusufbekov Pamir Biol. Inst., Tajikistan , Mamedov, İbrahim G. Department of Chemistry - Baku State University, Azerbaijan
Abstract :
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 QT = 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.
Keywords :
cyclocondensation product , 1,2,7,8-tetrahydroisoquinoline ring system , Hirshfeld surface analysis , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
