Synthesis, characterization and crystallographic analysis of N-2-(tert-butylcarbomyl) (4-chlorophenyl methyl)-6-fluoro-N- (3, 4, 5-triethoxyphenyl) chroman-2-carboxamide

Abstract

The title compound (UGCl 001) has been prepared by the multicomponent reaction of chromanes (U-4CC) without using catalyst. The compound has been characterized by 1H and 13C NMR, IR and MS techniques. X-ray crystallographic technique has been applied and the results show that the crystal belongs to the triclinic system having space group P-1(#2) with unit cell parameters, a = 10.704(2) Å, b = 12.843(2) Å, c = 13.179(2) Å, α = 116.968(4)°, β = 103.203(4)°, γ = 95.788(5)°, V = 1527.8(4) Å3 and Z = 2. In the title compound, dihedral angles between the planes of the chromane ring (A), substituted aniline ring (B), substituted benzaldehyde (C) and tert-butyl isocynides (D) are 121.2 (3), 123.0(2) and 113.0(3) respectively. Intermolecular N---O, C---Cl and C---F interaction has been found in the crystal structure and results in a three dimensional network structure.