氮川丙酰胺的晶体结构(Ⅰ)

THE CRYSTAL STRUCTURE OF 3,3′, 3″……NITRILOTRIS……PROPIONAMIDE

氮川丙酰胺的结构式为,简称NTP。它属于R3c空间群,取六方格子时,a=6=11.306,c=15.723,每个晶胞有六个分子。我们用直接法确定了它的晶体结构,讨论了分子之间的联系。 本文涉及到直接法测定相角的几个实际问题。我们推导出一系列R3c的∑_1公式:等等。我们也把简称为PSTAN—1算法引进多重解程序。上述这些已应用于NTP晶体结构的测定工作,看来是成功的。

The crystal structure of 3,3′,3″……nitrilotris……propionamide (NTP) has been determined by direct methods. The crystal is trigonal, space group R3c, with hexagonal parameters a=b=11.306 and c=15.723 Each unit cell contains six molecules. Some important features of the crystal structure are discussed.In this paper we will discuss several theoretical and practical problems which are of importance in phase determination by direct methods. We have obtained a number of equations known as the formulae for space group R3c. These are etc.A new idea which we call PSTAN—1 has been introduced into the multisolution program of phase determination (MULTAN) and applied successfully to the crystal structure determination of NTP.