Crystal structure of a very hindered olefin: 1,1-diphenyl-2,2-di-t-butylethylene at –155 °C
- 1 January 1976
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 15,p. 1831-1835
- https://doi.org/10.1039/p29760001831
Abstract
An X-ray crystal structure determination at –155 °C of 1,1-diphenyl-2,2-di-t-butylethylene, C22H28[monoclinic, space group C2/c, a= 32.703(3), b= 6.085(1), c= 20.747(2)Å, β= 122.40(1)°, Z= 8, final R0.049 for 3 777 independent reflections) shows the steric hindrance effect on bond distances, valence angles, and twist of the central double bond (24°). Mean single-bond distances are: C(sp2)–C(sp2) 1.504, C(sp2)–C(sp3) 1.574, and C(sp3)–C(sp3) 1.546 Å. Valence angles tend to narrow the hindrance of the t-butyl groups. The shortest 1.5-intramolecular contacts are C(Ph) C(But) 2.80 and C(But) C(But) 3.13 Å. Intermolecular contacts are as expected. The conformation of the isolated molecule should differ little from that found in the crystal.Keywords
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