[Structural disorder and conformation difference in the organic molecular crystals].
OBJECTIVE
Investigating multiple configuration nature of natural organic molecules through study on atom disorder in crystal state molecules.


METHODS
Three-dimensional determination for four natural organic compound samples by using single crystal X-ray diffraction.


RESULTS
Through disorder analysis on molecules in crystal state, we have found that the disorder of some atoms may cause conformation difference for molecules, bring about multiple conformation in crystal state hence reducing the symmetry of molecules in crystal cells.


CONCLUSIONS
There can be two or three molecules, even two different compounds in an asymmetrical unit of structure cell because of partial disorder or configuration difference in organic molecule crystals.
Lu
Y
Y
Department of Instrument Analysis, Institute of Materia Medica, CAMS and PUMC, Beijing 100050.
Wang
S
S
Wu
B
B
Zheng
Q
Q
Han
G
G
D003461:Crystallography; D004224:Diterpenes / Q000737:chemistry*; D004365:Drugs, Chinese Herbal; D008968:Molecular Conformation; D015394:Molecular Structure; D009930:Organic Chemicals / Q000737:chemistry*
D004224:Diterpenes; D004365:Drugs, Chinese Herbal; D009930:Organic Chemicals; C065529:epinodosinol