Zwitternicin A晶体生成习性预测研究

Prediction Research on the Growth Habit of Zwittermicin A Crystal

通过重结晶方法,选用不同的溶剂获得了Zwittermicin A晶型A和晶型B,利用红外光谱法(IR)、X-射线粉末衍射分析法(XRD)和熔点法等对Zwittermicin A各晶型物进行了鉴定与表征。同时利用Materials Studio 4.2软件对Zwittermicin A两种晶型物分子进行晶体结构模拟研究,确定二种晶型的晶胞参数和空间群;通过Morphology模块中的BDFH模型,研究了Zwittermicin A各晶型的理论预测晶习,并通过Growth morphology模块研究Zwittermicin A各晶型的主要生长面,初步探讨各晶型晶习形成机理。

Zwittermicin A polymorphism of form A and form B were prepared by recrystalhzatlon, the differences of Zwittermicin A polymorphism were identified by red-infrared （IR）, X-ray powder diffraction（XRD） and melting point. The prediction software named Materials Studio 4.2 was used to study the molecular structure of each Zwittermicin A crystal form. The unit cell parameters and space group for each crystal forms were obtained. The crystal habit were studied by the BFDH principle of morphology, the main growth faces were studied by growth morphology module.