结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2002年
3期
241-244
,共4页
曹焕岩%李在国%孙会凯%汪清民%黄润秋
曹煥巖%李在國%孫會凱%汪清民%黃潤鞦
조환암%리재국%손회개%왕청민%황윤추
synthesis%crystal structure%herbicides%PSII inhibitor%cyanoacrylate
The crystal of the title compound C17H22ClN3O3(Mr = 351.83) was prepared and its structure was determined by X-ray single-crystal diffraction. The crystal belongs to monoclinic, space group P21/n with the following crystallographic parameters: a = 14.7641(1), b = 9.0050(7), c = 15.4874(1) ?, β =116.9590(1)°, V = 1835.3(3) ?3, Z = 4, Dx = 1.273 g/cm3, μ(MoKα) = 0.227mm-1, F(000) = 744, the final R = 0.0516 and wR = 0.1594 for 2168 observed reflections. The X-ray data confirmed the z-sterochemistry of active cyanoacrylates and the presence of a planar core stablized by an intramolecular hydrogen bond between the ester carbonyl oxygen and the pyridyl methylamino hydrogen atom.
