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Figure 1
(a) SCHAKAL plot (Keller & Pierrard, 1999BB9) of the molecular structure of ethylene oxide, also showing the bond and ring critical points. (b) ORTEP (Burnett & Johnson, 1996BB3) 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).

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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