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测定了标题化合物的晶体结构，它是由2个相似结构的化合物分子组成．晶体属单斜晶系，空间群为P21，晶胞参数：a=0．8431（3）nm，b=0．7297（1）nm，c=2．1880（7）nm，β=100．90（3）°，V=1．322（1）nm3，Z=2．应用分子力学程序MMX及逐步旋转单键法探讨了它的构型和其它可能的优势构象．还应用MNDO方法计算了电荷分布及CNDO／2方法计算了静电势．结果表明，在该化合物中存在3个明显的负电区域，此结构与活性密切相关．
The crystal structure of the title compound was determined and consisted of two molecules of a compound of similar structure. The crystal belongs to the monoclinic system with a space group of P21 and unit cell parameters: a = 0.8431 (3) nm, b = 0.7297 (1) nm, c = 2.1880 (7) nm, β = 100. 90 (3) °, V = 1.322 (1) nm3, Z = 2. Its configuration and other possible conformations of conformations are explored using the molecular mechanics program MMX and the stepwise rotation single bond method. The electrostatic potential was also calculated using the MNDO method to calculate the charge distribution and the CNDO / 2 method. The results show that in the compound there are three obvious negative area, the structure and activity are closely related.