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Geometry for C2H4CO3 (Ethylene carbonate) 1A C2

1910171554
InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2 INChIKey=KMTRUDSVKNLOMY-UHFFFAOYSA-N

MP2/6-31+G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8639   0.8639 0.0000 0.0000
O2 0.0000 0.0000 2.0609   2.0609 0.0000 0.0000
O3 0.0000 1.1384 0.0404   0.0404 1.1331 -0.1089
O4 0.0000 -1.1384 0.0404   0.0404 -1.1331 0.1089
C5 0.2332 0.7272 -1.2827   -1.2827 0.7462 0.1625
C6 -0.2332 -0.7272 -1.2827   -1.2827 -0.7462 -0.1625
H7 -0.3365 1.3644 -1.9544   -1.9544 1.3259 -0.4655
H8 1.2985 0.8111 -1.5081   -1.5081 0.9316 1.2150
H9 0.3365 -1.3644 -1.9544   -1.9544 -1.3259 0.4655
H10 -1.2985 -0.8111 -1.5081   -1.5081 -0.9316 -1.2150
Atom - Atom Distances (Å)
  C1 O2 O3 O4 C5 C6 H7 H8 H9 H10
C1 1.1971 1.4050 1.4050 2.2783 2.2783 3.1492 2.8232 3.1492 2.8232
O2 1.1971 2.3191 2.3191 3.4297 3.4297 4.2541 3.8836 4.2541 3.8836
O3 1.4050 2.3191 2.2767 1.4050 2.2990 2.0356 2.0473 3.2181 2.8079
O4 1.4050 2.3191 2.2767 2.2990 1.4050 3.2181 2.8079 2.0356 2.0473
C5 2.2783 3.4297 1.4050 2.2990 1.5274 1.0870 1.0922 2.1993 2.1825
C6 2.2783 3.4297 2.2990 1.4050 1.5274 2.1993 2.1825 1.0870 1.0922
H7 3.1492 4.2541 2.0356 3.2181 1.0870 2.1993 1.7828 2.8105 2.4202
H8 2.8232 3.8836 2.0473 2.8079 1.0922 2.1825 1.7828 2.4202 3.0621
H9 3.1492 4.2541 3.2181 2.0356 2.1993 1.0870 2.8105 2.4202 1.7828
H10 2.8232 3.8836 2.8079 2.0473 2.1825 1.0922 2.4202 3.0621 1.7828
Maximum atom distance is 4.2541Å between atoms O2 and H7.
picture of Ethylene carbonate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O3 C5 108.352 C1 O4 C6 108.352
O2 C1 O3 125.881 O2 C1 O4 125.881
O3 C1 O4 108.239 O3 C5 C6 103.178
O4 C6 C5 103.178
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O3 C5 H7 108.872 O3 C5 H8 109.501
O4 C6 H9 108.872 O4 C6 H10 109.501
C5 C6 H9 113.463 C5 C6 H10 111.772
C6 C5 H7 113.463 C6 C5 H8 111.772
H7 C5 H8 109.791 H9 C6 H10 109.791

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.