The characterization of organic crystal products, based on internal st
ructure using powder X-ray diffraction, was investigated with two subs
tances. In the case of L-histidine alpha-ketoisocaproic acid complex e
thanolate, the de-ethanolation rate increases when the crystal shows s
tronger intensities of (002) reflection. The difference of the intensi
ties of the (002) reflection was found to be caused by the internal st
ructure (i.e. degrees of crystallinity and preferred orientation). The
layer structure of L-histidine alpha-ketoisocaproic acid complex etha
nolate [1] could explain the crystal structure having the tendency to
take a structure with preferred orientation. In the case of the alpha-
form of L-aspartic acid, the degree of preferred orientation varies ac
cording to the crystallizing rates. Different crystal habits are noted
among these samples. As a result of the simulation of a powder X-ray
diffraction pattern from the crystal structure, the difference of the
degree of preferred orientation is shown to reflect the global anisotr
opic displacement of molecules.