Paper
Synthesis and Crystal Structure of 2-amino-7, 7-dimethyl-4-(4-nitrophenyl)-5-oxo-1, 4, 5, 6, 7, 8- hexahydroquinoline-3-carbonitrile
Published Feb 24, 2014 · R. Kant, V. Gupta, S. Anthal
European Chemical Bulletin
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Abstract
The title molecule, 2-amino-7, 7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carbonitrile, C 21 H 25 N 5 O 4 , was synthesized by multicomponent synthesis and characterized by IR, 1 H NMR, Elemental and Single-crystal analysis. The compound crystallizes in the triclinic space group P-1 with unit cell parameters, a = 7.5762(2), b = 9.9019(4), c = 14.1138(5) Ǻ, α = 89.708(3), β = 90.249(3), γ = 102.124(3) o , Z=2. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.1183 for 3090 observed reflections. The dihydropyridine and cyclohexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydropyridine ring form a dihedral angle of 82.13(6) o with the benzene ring. In the crystal, N-H…O hydrogen bonds link molecules into a two-dimensional network
The crystal structure of 2-amino-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile reveals a two-dimensional network of molecules linked by N-H...O hydrogen bonds
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