Structural characterization of chlorobenzylidine.
OBJECTIVE
To study the structure and crystal forms of chlorobenzylidine.


METHODS
Karl Fischer titrimetry, FTIR, thermal analysis, single and powder X-ray diffraction were used for the studies of the structure of chlorobenzylidine and for the identification of two forms of chlorobenzylidine.


RESULTS
Chlorobenzylidine and its diastereoisomer have been studied in this article. They can be distinguished by their different melting points. Two crystal forms of chlorobenzylidine (form A and form B) have also been detected and studied. Form A was studied by single-crystal X-ray diffraction, it crystallized in the triclinic system, space group P1(-), with two formula units per cell, is monohydrate. Karl Fischer titrimetry, FTIR, thermal analysis and powder X-ray diffraction were used for identification of the two forms.


CONCLUSIONS
The studies of structure and crystal forms of chlorobenzylidine are very useful for the clinical research and the selection of recrystallization process.
Li
Zhong-Hong
ZH
China Pharmaceutical University, Nanjing 210009, China. lizhh402@sohu.com
Ni
Kun-Yi
KY
Zhou
Guo-Xiong
GX
Zhang
Can
C
Huang
Wen-Long
WL
Peng
Si-Xun
SX
D001597:Benzylidene Compounds; D003460:Crystallization; D018360:Crystallography, X-Ray; D004055:Differential Thermal Analysis; D008968:Molecular Conformation; D015394:Molecular Structure; D011083:Polycyclic Compounds / Q000737:chemistry*; D013237:Stereoisomerism
D001597:Benzylidene Compounds; D011083:Polycyclic Compounds; C451700:chlorobenzylidine