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(+)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 2_12_12_1。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。
(+) Walnut A has been isolated from the Chinese herbal medicine Ipomoea hardwickii Hemsl. Its hydrobromide crystals are orthorhombic in space group P 2_12_12_1. Cell parameters: a = 10.078 (2) (?), B = 17.303 (3) (?), C = 9.022 (1) (?), Z = 4. The intensity data was collected using a four-circle diffractometer to obtain a total of 1248 independent observable points. The structure was determined by heavy atom method, and the structure parameters were corrected by least square method of block diagonal matrix. The final deviation factor R was 0.051. According to the anomalous scattering of Br, the absolute configuration of the chrysotoxin A cation was identified as S-type and named S-1,2,3,5,8,9-hexahydro-6-p-phenol-7-methylindole Oxazine. Unit cell four pairs of twos and a pair, through the hydrogen bonds NH ... Br ... HOH ... OHAr formed in the crystal along the b direction of the infinite expansion of the molecular chain.