The discrepancy between the ‘curiously short’ carbon–carbon double bond distance in 3-ethynylcyclopropene, as measured experimentally by X-ray analysis [1.255(2) Å], compared with the value derived from high level ab initio calculations (ca. 1.28 Å), is largely due to neglect of corrections for molecular motion in the crystal.
J. D. Dunitz, Chem. Commun., 1999, 2547 DOI: 10.1039/A907593C
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