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

摘要

The title compound (UGC1 001) has been prepared by the multicomponent reaction of chromanes (U-4CC) without using catalyst. The compound has been characterized by H-1 and C-13 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) angstrom, b = 12.843(2) angstrom, c = 13.179(2) angstrom, alpha = 116.968(4)degrees, beta = 103.203(4)degrees, gamma = 95.788(5)degrees, V = 1527.8(4) angstrom(3) 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.