氯苄律定的结构表征

目的研究氯苄律定的结构与晶型。方法采用卡氏水分滴定法, 傅立叶变换红外光谱法, 热分析, 单晶和粉末X射线衍射法对氯苄律定的结构及晶型进行了研究。结果氯苄律定及其非对映异构体可用不同的熔点来区分。氯苄律定晶型A为三斜晶系，空间群为P-1, 每个晶胞中有两个互为镜象的分子，为一水合物。并对氯苄律定的两种晶型进行了鉴定。结论对氯苄律定的结构及晶型进行的研究对于其临床研究及重结晶工艺的选择均是十分有用的。

Structural characterization of chlorobenzylidineStructural characterization of chlorobenzylidine

Aim To study the structure and crystal forms of chlorobenzylidine. Methods Karl Fischer titrimetry, FTIR, thermal analysis, single and powder X-ray diffraction were used for the studies of the structure of chlorobenzylidine and for the identification of two forms of chlorobenzylidine. Results Chlorobenzylidine and its diastereoisomer have been studied in this article. They can be distinguished by their different melting points. Two crystal forms of chlorobenzylidine (form A and form B) have also been detected and studied. Form A was studied by single-crystal X-ray diffraction, it crystallized in the triclinic system, space group P - 1, with two formula units per cell, is monohydrate. Karl Fischer titrimetry, FTIR, thermal analysis and powder X-ray diffraction were used for identification of the two forms.Conclusion The studies of structure and crystal forms of chlorobenzylidine are very useful for the clinical research and the selection of recrystallization process.