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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

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Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8513   0.8474 0.0817 0.0000
O2 0.0000 0.0000 2.0366   2.0272 0.1955 0.0000
O3 0.0000 1.1146 0.0610   -0.0463 1.1153 0.0000
O4 0.0000 -1.1146 0.0610   0.1678 -1.1036 0.0000
C5 0.2268 0.7278 -1.2869   -1.3509 0.6009 0.2268
C6 -0.2268 -0.7278 -1.2869   -1.2111 -0.8480 -0.2268
H7 -0.3554 1.3687 -1.9497   -2.0721 1.1751 -0.3554
H8 1.2938 0.8259 -1.5169   -1.5892 0.6764 1.2938
H9 0.3554 -1.3687 -1.9497   -1.8093 -1.5496 0.3554
H10 -1.2938 -0.8259 -1.5169   -1.4306 -0.9677 -1.2938
Atom - Atom Distances (Å)
  C1 O2 O3 O4 C5 C6 H7 H8 H9 H10
C1 1.1852 1.3664 1.3664 2.2701 2.2701 3.1377 2.8221 3.1377 2.8221
O2 1.1852 2.2683 2.2683 3.4098 3.4098 4.2297 3.8708 4.2297 3.8708
O3 1.3664 2.2683 2.2293 1.4206 2.2941 2.0576 2.0608 3.2150 2.8159
O4 1.3664 2.2683 2.2293 2.2941 1.4206 3.2150 2.8159 2.0576 2.0608
C5 2.2701 3.4098 1.4206 2.2941 1.5247 1.0904 1.0958 2.2025 2.1861
C6 2.2701 3.4098 2.2941 1.4206 1.5247 2.2025 2.1861 1.0904 1.0958
H7 3.1377 4.2297 2.0576 3.2150 1.0904 2.2025 1.7893 2.8281 2.4257
H8 2.8221 3.8708 2.0608 2.8159 1.0958 2.1861 1.7893 2.4257 3.0698
H9 3.1377 4.2297 3.2150 2.0576 2.2025 1.0904 2.8281 2.4257 1.7893
H10 2.8221 3.8708 2.8159 2.0608 2.1861 1.0958 2.4257 3.0698 1.7893
Maximum atom distance is 4.2297Å 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 109.067 C1 O4 C6 109.067
O2 C1 O3 125.338 O2 C1 O4 125.338
O3 C1 O4 109.325 O3 C5 C6 102.266
O4 C6 C5 102.266
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O3 C5 H7 109.357 O3 C5 H8 109.281
O4 C6 H9 109.357 O4 C6 H10 109.281
C5 C6 H9 113.718 C5 C6 H10 112.034
C6 C5 H7 113.718 C6 C5 H8 112.034
H7 C5 H8 109.860 H9 C6 H10 109.860

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