Figure 1
(a) SCHAKAL plot (Keller & Pierrard, 1999) of the molecular structure of ethylene oxide, also showing the bond and ring critical points. (b) ORTEP (Burnett & Johnson, 1996) representation of the molecular structure in the crystal at 100 K with atomic numbering scheme, displacement ellipsoids at a 50% probability level and atomic properties V001 (in Å3) and q001 (in e). First column: experiment, second column: theory at optimized geometry (opt); third column: theory at experimental geometry (singlepoint, sp). |