【摘要】 <正> 引言 2,7-二硝基-10-对硝基苯基-9-碘杂-10H-蒽硫氰酸盐(1)是碘杂环类化合物,这类化合物有的具有降压作用,有的有抑菌作用,并具有一些特殊性质,如在吡啶溶液中有电子自旋共振讯号并表现出盐类的典型溶解度性质,因此测定它的晶体结构有助于对这些性质的进一步了解. 本文对1进行晶体结构测定工作,它的单晶呈浅黄色,在甲酸溶液内结晶.时间稍长,晶体变成微蓝色.通过单晶测定发现1的晶体中三个硝基苯不共面,硝基同苯结合也有一定规律;分子间通过van der Waals力结合,是一个较稳定的化合物.更多还原

【Abstract】 Crystals of the title compound belong to the tetragonal crystal system. Its space roup is P4₃ with lattice parameters a = b = 10.433 A and c = 19.677A. There are 4 molecules n n unit cell. Intensities were collected with Cu K_a by the PW-1100 four-ctrcle diffractometer. he cryctal structure was solved by the heavy-atom method. Heavy atoms were found by the atterson function. All atomic coordinates were determined by the three-dimensional Fourier ynthesis. The structure was refined by the full-matrix least-squares method for 32 non-ydrogen toms and anisotropic thermal parameters were included. The final residual factor R equals to .0852 for 1949 observed reflections.更多还原