Structural, Hirshfeld surface and three-dimensional inter-action-energy studies of 1,3,5-triethyl 2-amino-3,5-di-cyano-4,6-bis-(4-fluoro-phen-yl)cyclo-hex-1-ene-1,3,5-tri-carboxyl-ate.

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作者:Chandana S N, Ganesha D P, Sreenatha N R, Harisha A S, Lakshminarayana B N
In the title compound, C(29)H(27)F(2)N(3)O(6), which crystallizes in the monoclinic space group P2(1)/c, the cyclo-hexenone ring is puckered and adopts an envelope conformation. The crystal structure features various inter-molecular inter-actions, such as N-H⋯O, C-H⋯N and C-H⋯O. These inter-actions were investigated using Hirshfeld surface analysis and the three-dimensional inter-action energies were calculated using the B3LYP/6-31†G(d,p) energy density model.

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