The title compound, C(29)H(33)NO(3), crystallizes with three mol-ecules (A, B and C) in the asymmetric unit. They differ in the twist of the phenyl and benzene rings of the 1,1'-biphenyl ring with respect to the plane of the 1,4-di-hydro-pyridine ring. In all three mol-ecules, the 1,4-di-hydro-pyridine ring adopts a distorted boat conformation. The cyclo-hexene ring has an envelope conformation in mol-ecules A and B, while it exhibits a distorted half-chair conformation for both the major and minor components in the disordered mol-ecule C. In the crystal, mol-ecules are linked by C-Hâ¯O and N-Hâ¯O hydrogen bonds, forming layers parallel to (100) defining R (1) (4)(6) and C(7) graph-set motifs. Additional C-Hâ¯Ï inter-actions consolidate the layered structure. Between the layers, van der Waals inter-actions stabilize the packing, as revealed by Hirshfeld surface analysis. The greatest contributions to the crystal packing are from Hâ¯H (69.6% in A, 69.9% in B, 70.1% in C), Câ¯H/Hâ¯C (20.3% in A, 20.6% in B, 20.3% in C) and Oâ¯H/Hâ¯O (8.6% in A, 8.6% in B, 8.4% in C) inter-actions.
Synthesis, characterization, crystal structure and Hirshfeld surface analysis of a hexa-hydro-quinoline derivative: tert-butyl 4-([1,1'-biphen-yl]-4-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.
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作者:Yıldırım Sema Ãztürk, Akkurt Mehmet, Ãetin Gökalp, ÅimÅek Rahime, Butcher Ray J, Bhattarai Ajaya
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2022 | 起止号: | 2022 Jul 14; 78(Pt 8):798-803 |
| doi: | 10.1107/S2056989022007022 | ||
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