1HNMR and X-Ray Crystallographic Structure Determination of 4aR*,5R*,10bR*-5-(7- Methylcoumarin- 4yl)-3,4,4a,5,6,10b-Hexahydro- 2H-Pyrano[3,2-c]Quinoline
M. Kayalvizhi
Department of Physics, Kunthavai Naachiar Government Arts College (w) Autonomous, Thanjavur, Tamilnadu, India
G. Vasuki *
Department of Physics, Kunthavai Naachiar Government Arts College (w) Autonomous, Thanjavur, Tamilnadu, India
Shriniwas D. Samant
Department of Chemistry, Institute of Chemical Technology, N.M. Parekh Road, Matunga, Mumbai, India
Kailas K. Sanap
Department of Chemistry, Institute of Chemical Technology, N.M. Parekh Road, Matunga, Mumbai, India
*Author to whom correspondence should be addressed.
Abstract
The title compound, C22H21NO3 belongs to the monoclinic system, space group P21/c with a = 9.3400 (3) Å, b = 22.1653 (8) Å, c = 8.7044 (3) Å, α = γ = 90˚ , β = 105.549 (1)˚, V = 1736.07 (10) Å3, Z = 4, Dc = 1.3291(1) Mg /m3, F(000) = 736, R = 0.0358 and wR = 0.0959, S= 1.082, T = 296 K. In the title compound, C22H21NO3, the nitrogen- containing ring of the pyranoquinoline moiety adopts a slightly distorted half-chair conformation and the oxygen- containing ring adopts a slightly distorted chair conformation. The benzene rings make a dihedral angle of 48.07(9) ˚. In the crystal, weak C—H…O and π—π interactions link the molecules into chains extending along the a-axis direction. The crystal structure of the title compound was characterized by X-ray diffraction studies and spectroscopic 1H NMR technique.
Keywords: Pyranoquinoline, benzene ring, coumarin, methyl substituted derivative