【摘要】 (+)华佗豆碱甲已经从中草药华佗豆（Ipomoea hardwickii Hemsl.）中分离到。它的氢溴酸盐晶体属正交晶系,空间群P 2₁2₁2₁。晶胞参数:a=10.078（2）（?）,b=17.303（3）（?）,c=9.022（1）（?）,Z=4。用四圆衍射仪收集强度数据,得到独立可观察点共1248个。用重原子法确定结构,经块对角矩阵最小二乘法修正结构参数,最终的偏离因子R为0.051。根据Br的反常散射确定华佗豆碱甲阳离子的绝对构型为S型,命名为S-1,2,3,5,8,9-六氢-6-对苯酚基-7-甲基吲嗪。晶胞内四个分子两两一对,通过氢键NH…Br…HOH…OHAr形成在晶体内沿b方向无限伸展的分子链。更多还原

【Abstract】 (+)-Ipalbidine has been isolated from the chinese medicinal plant HuaTuo Dou（Ipomoea hardwickii Hemsl.）and the crystal of（+）-ipalbidine hydrobromidemonohydrate was found to belong to orthorhombic system with space group P2₁ 2₁ 2₁.Theunit cell paramaters α=10.078（2）（?）,b=17.303（3）（?）,c=9.022（1）（?）,Z=4.The inten-sity data were obtained with a four-circle diffractometer and the number of the independ-ent reflections amounted to 1248.The structure was solved by heavy-atom techniqueand refined by block-diagonal matrix least-squares method.The final R is 0.051.By means of anomalous dispersion of Br,the absolute configuration of the cationwas found to be sinister,titled S-1,2,3,5,8,9-hexahydro-6-p-hydrooxyphenyl-7-methyl-indolizine.Four molecules in a unit cell were linked in pairs by hydrogen-bonds NH…Br…HOH…OHAr,forming molecular chains running in the b direction.更多还原