Journal
SCIENCE IN CHINA SERIES B-CHEMISTRY
Volume 44, Issue 5, Pages 552-560Publisher
SCIENCE PRESS
DOI: 10.1007/BF02880686
Keywords
benzoxazines; single crystal; structure parameters
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A colorless monoclinic crystal of dichloro-benzoxazine was obtained and examined by single crystal X-ray diffraction analysis. At the same time, molecular modeling analysis of nine benzoxazine compounds with different substituting groups was performed. Both single crystal X-ray diffraction analysis and molecular modeling analysis provide a detailed picture of molecular structure on molecular level and show good consistence with each other. On the basis of structural analysis, the effects of molecular structure parameters on ring-opening polymerization of benzoxazines have been explored.
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