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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/CEP-121G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9119   0.9119 0.0000 0.0000
O2 0.0000 0.0000 2.1442   2.1442 0.0000 0.0000
O3 0.0000 1.1841 0.0402   0.0402 1.1792 -0.1072
O4 0.0000 -1.1841 0.0402   0.0402 -1.1792 0.1072
C5 0.2328 0.7480 -1.3445   -1.3445 0.7660 0.1641
C6 -0.2328 -0.7480 -1.3445   -1.3445 -0.7660 -0.1641
H7 -0.3648 1.3942 -1.9971   -1.9971 1.3555 -0.4895
H8 1.3055 0.8433 -1.5701   -1.5701 0.9580 1.2238
H9 0.3648 -1.3942 -1.9971   -1.9971 -1.3555 0.4895
H10 -1.3055 -0.8433 -1.5701   -1.5701 -0.9580 -1.2238
Atom - Atom Distances (Å)
  C1 O2 O3 O4 C5 C6 H7 H8 H9 H10
C1 1.2323 1.4703 1.4703 2.3885 2.3885 3.2464 2.9284 3.2464 2.9284
O2 1.2323 2.4143 2.4143 3.5756 3.5756 4.3848 4.0263 4.3848 4.0263
O3 1.4703 2.4143 2.3681 1.4703 2.3884 2.0803 2.1008 3.3062 2.8996
O4 1.4703 2.4143 2.3681 2.3884 1.4703 3.3062 2.8996 2.0803 2.1008
C5 2.3885 3.5756 1.4703 2.3884 1.5667 1.0957 1.1003 2.2433 2.2247
C6 2.3885 3.5756 2.3884 1.4703 1.5667 2.2433 2.2247 1.0957 1.1003
H7 3.2464 4.3848 2.0803 3.3062 1.0957 2.2433 1.8099 2.8823 2.4645
H8 2.9284 4.0263 2.1008 2.8996 1.1003 2.2247 1.8099 2.4645 3.1083
H9 3.2464 4.3848 3.3062 2.0803 2.2433 1.0957 2.8823 2.4645 1.8099
H10 2.9284 4.0263 2.8996 2.1008 2.2247 1.1003 2.4645 3.1083 1.8099
Maximum atom distance is 4.3848Å 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 108.632 C1 O4 C6 108.632
O2 C1 O3 126.359 O2 C1 O4 126.359
O3 C1 O4 107.282 O3 C5 C6 103.659
O4 C6 C5 103.659
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O3 C5 H7 107.435 O3 C5 H8 108.770
O4 C6 H9 107.435 O4 C6 H10 108.770
C5 C6 H9 113.645 C5 C6 H10 111.865
C6 C5 H7 113.645 C6 C5 H8 111.865
H7 C5 H8 111.008 H9 C6 H10 111.008

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