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对氯苯甲酸哌啶(C12NOH14Cl)的晶体属正交晶系,空间群为P21 21 21,晶胞参数为a=11.490(6)?,b=10.462(5)?,c=9.928(5)?,晶胞内分子数z=4。用PW-1100四圆衍射仪收集强度数据,Patterson法确定了氯原子的位置,Fourier综合获得了全部非氢原子位置,用全矩阵最小二乘法修正结构,最终的偏离因子R=0.094。差值Fourier综合确定了氢原子的位置。利用氯原子的反常散射效应确定了绝对构型。The p-chloro benzoyl piperidine. C12H14 ONCL crystal belongs to the orthorhombic system. The space group is P21 21 21 with α=11.490(6)?, b = 10.462(5)?, c=9.928(5)?, z = 4 and calculated density Dc= 1.2410 gcm-3. The intensity data were collected on a Philips PW-1100 diffractometer. With the chlorineatom position found from Patterson method, the structure was determined by Fourier synthesis and refined by full-matrix least square method to a final R value of 0.093 for 697 reflexions. The hydrogen atom coordinate parameters were obtained from difference Fourier synthesis. The absolute configuration of molecule was determined by anomalous scattering method.
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