Crystal and molecular structure of 1-benzylphosphole by X-ray analysis
- 1 January 1973
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc., Dalton Trans.
- No. 18,p. 1888-1891
- https://doi.org/10.1039/dt9730001888
Abstract
Molecular dimensions for the title compound have been established by single-crystal X-ray analysis from photographic data. Crystals are orthorhombic, space group Pbca with a= 17·62(2), b= 14·60(2), c= 7·67(1)Å, Z= 8. The structure was solved by the heavy-atom method and refined by full-matiix least-squares calculations to R 0·073 over 1351 independent observed reflexions. Comparison of the molecular dimensions with those of other heteroaromatic compounds is made. The phospholering has a non-planar geometry, and the mean P–C(phosphole) length of 1·783(5)Å is consistent with the interpretation that some electron delocalisation is present in the ring.Keywords
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