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) = 0.367â (2)â A, θ = 117.3â (3)° and Ï = 327.3â (4)°. The dihedral angles between the best planes through the iso-quinoline ring system and the three phenyl rings are 81.69â (12), 82.45â (11) and 47.36â (10)°. In the crystal, mol-ecules are linked via N-Hâ¯O and C-Hâ¯N hydrogen bonds, forming a three-dimensional network. Furthermore, the crystal packing is dominated by C-Hâ¯Ï 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 Hâ¯H (46.0%), Câ¯H/Hâ¯C (35.1%) and Nâ¯H/Hâ¯N (10.5%) contacts.
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
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2021 | 起止号: | 2021 Jan 29; 77(Pt 2):195-199 |
| doi: | 10.1107/S2056989021000785 | ||
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