摘要
Compound C13H14Cl3N3O3, Mr = 366. 42, monoclinic, space groupP21/n, a=9. 649(1), b= 17. 315(2), c= 9. 715(1) A, β=96. 30(1)°. V= 1613. 3(3) A3, Z=4, De= 1. 509 g/cm3, μ= 0. 582 mm-1, F(000) = 752, R=0. 049, wR(F2) = 0. 095. Its unit cell is composed of four hexahydro-2- (nitrobenzoylmethylene)pyrimidine (1 ) molecules and four chloroform molecules (solvent). Both phenyl andheterocyclic rings in moiecule 1 are twisted to some degree to form a big conjugate sys-tem. The oxygen atoms of nitro and carbonyl groups in one molecule 1 form hydrogenbonds with the NH groups of the heterocyclic rings in other molecules which enhancethe stability of molecular packing.
Compound C13H14Cl3N3O3, Mr = 366. 42, monoclinic, space groupP21/n, a=9. 649(1), b= 17. 315(2), c= 9. 715(1) A, β=96. 30(1)°. V= 1613. 3(3) A3, Z=4, De= 1. 509 g/cm3, μ= 0. 582 mm-1, F(000) = 752, R=0. 049, wR(F2) = 0. 095. Its unit cell is composed of four hexahydro-2- (nitrobenzoylmethylene)pyrimidine (1 ) molecules and four chloroform molecules (solvent). Both phenyl andheterocyclic rings in moiecule 1 are twisted to some degree to form a big conjugate sys-tem. The oxygen atoms of nitro and carbonyl groups in one molecule 1 form hydrogenbonds with the NH groups of the heterocyclic rings in other molecules which enhancethe stability of molecular packing.
