Wu Juna
2003
Citations
0
Influential Citations
4
Citations
Journal
Chinese Journal of Structural Chemistry
Abstract
The title compound n-propyl-4-[2-(4,6-dimethoxypyrimidin-2-yloxy)benzylamino] benzoate (C23H25N3O5) was synthesized by the reaction of 2-methanesulfonyl-4,6-dimethoxy pyrimidine and N-(4?propoxy- carbonylphenyl)-2-hydroxybenzylamine in THF, and its structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P2/n with a = 14.8504(8), b = 9.4420(4), c = 16.3129(9) ? = 104.881(1)? V = 2210.6(2) ?, Z = 4, Dc = 1.272 g/cm3, F(000) = 896.00, (MoKa) = 0.91cm-1, R = 0.051 and wR = 0.118. Of the 19761 collected reflections, 5004 were unique. The title compound was also characterized by elemental analysis, IR, MS and H NMR. In the molecule there exist three different planes. In each of them a conjugated system is formed. The dihedrals between the pyrimidine plane and two phenyl planes (C(7)~C(12), C(14)~C(19)) are 99.18 and 164.15? respectively, and the dihedral between these two phenyl rings is 94.93? The conformation of the title compound is of boat-like.