有机分子晶体中的局部结构无序(Ⅰ)

Local Structural Disorder in the Organic Molecular Crystals

应用单晶X衍射法测定5个有机分子样品结构，发现晶态下部分原子存在的无序排列（占有率，位置）导致分子构象的变化．X射线衍射分析获得的是分子的平均结构．由于有机分子晶体结构中普遍存在无序现象，故增加了X射线衍射分析在三维空间中测定晶体准确结构的难度．

Five organic compounds were selected and their structures were determined by X ray diffraction. It was found that the disordered arrangement (occupying rate, position) existing in the partial atoms under the crystal state leads to the exchange in the molecular conformation, and by means of X-ray diffraction analysis, the average molecular structures are obtained. The disorder phenomena in the organic crystal structures exist universally, which make it more difficult to determine the crystal structures correctly in three-dimensional space.