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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.

Sema Öztürk YıldırımMehmet AkkurtGökalp ÇetinRahime ŞimşekRaymond John ButcherAjaya Bhattarai
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
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-H⋯O and N-H⋯O hydrogen bonds, forming layers parallel to (100) defining R 1 4 (6) and C (7) graph-set motifs. Additional C-H⋯π 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 H⋯H (69.6% in A , 69.9% in B , 70.1% in C ), C⋯H/H⋯C (20.3% in A , 20.6% in B , 20.3% in C ) and O⋯H/H⋯O (8.6% in A , 8.6% in B , 8.4% in C ) inter-actions.
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