The Crystal and Molecular Structure of Dimethyl m-Phenylenediacrylate
- 1 December 1977
- journal article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 50 (12) , 3182-3185
- https://doi.org/10.1246/bcsj.50.3182
Abstract
Photooligomerizable crystals of dimethyl m-phenylenediacrylate are orthorhombic, Pmn21, with a=26.419(8), b=3.960(1), c=5.935(2) Å, and Z=2. The structure was solved by the direct method and refined by the block-diagonal least-squares calculation to the R value of 0.042 for 617 observed reflections. The molecule is nearly planar and V-shaped with a mirror symmetry. A parallel plane-to-plane stack is found along the short b-axis. The molecules in the stack overlap completely, in contrast with the half-molecule overlap in the photopolymerizable crystals of this kind. The length of the b-axis is just the shortest intermolecular distance between reactive double bonds, indicating that the double bonds related by the b-translation would react to form a cyclobutane ring with a mirror symmetry.Keywords
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