On the crystal and molecular structure of 1,4-diphenylbuta-1,2,3-triene in connection with its stereospecific synthesis from (Z)-2-phenyl-1-(methylthio)vinyl cuprate and its conversion into (1Z,3E)-2-ethyl-1,4-diphenylbuta-1,3-diene
- 1 January 1979
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 4,p. 423-426
- https://doi.org/10.1039/p29790000423
Abstract
The crystal and molecular structure of the title compound (1) has been determined by single-crystal X-ray diffraction. Crystals are orthorhombic, space group Pcab, with cell dimensions a= 8.029(7), b= 13.032(6), c= 22.09(2)Å, and Z= 8. The structure was solved by direct methods and refined by block-diagonal least-squares to R 0.038 for 690 observed reflections. The molecular configuration is cis, which is of significance for establishing the stereochemistry of additions to the inner double bond. Parallel butatriene chains with a mean distance of 3.7 Å are stacked in planes parallel to (010).Keywords
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