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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

B1B95/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8555   0.8555 0.0000 0.0000
O2 0.0000 0.0000 2.0389   2.0389 0.0000 0.0000
O3 0.0000 1.1239 0.0455   0.0455 1.1199 -0.0947
O4 0.0000 -1.1239 0.0455   0.0455 -1.1199 0.0947
C5 0.2001 0.7377 -1.2698   -1.2698 0.7520 0.1372
C6 -0.2001 -0.7377 -1.2698   -1.2698 -0.7520 -0.1372
H7 -0.4177 1.3496 -1.9274   -1.9274 1.3096 -0.5299
H8 1.2524 0.8756 -1.5404   -1.5404 0.9780 1.1742
H9 0.4177 -1.3496 -1.9274   -1.9274 -1.3096 0.5299
H10 -1.2524 -0.8756 -1.5404   -1.5404 -0.9780 -1.1742
Atom - Atom Distances (Å)
  C1 O2 O3 O4 C5 C6 H7 H8 H9 H10
C1 1.1833 1.3854 1.3854 2.2586 2.2586 3.1210 2.8418 3.1210 2.8418
O2 1.1833 2.2883 2.2883 3.3958 3.3958 4.2103 3.8918 4.2103 3.8918
O3 1.3854 2.2883 2.2478 1.3854 2.2882 2.0292 2.0360 3.1914 2.8429
O4 1.3854 2.2883 2.2478 2.2882 1.3854 3.1914 2.8429 2.0292 2.0360
C5 2.2586 3.3958 1.3854 2.2882 1.5287 1.0901 1.0953 2.1993 2.1877
C6 2.2586 3.3958 2.2882 1.3854 1.5287 2.1993 2.1877 1.0901 1.0953
H7 3.1210 4.2103 2.0292 3.1914 1.0901 2.1993 1.7787 2.8255 2.4080
H8 2.8418 3.8918 2.0360 2.8429 1.0953 2.1877 1.7787 2.4080 3.0564
H9 3.1210 4.2103 3.1914 2.0292 2.1993 1.0901 2.8255 2.4080 1.7787
H10 2.8418 3.8918 2.8429 2.0360 2.1877 1.0953 2.4080 3.0564 1.7787
Maximum atom distance is 4.2103Å 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 109.206 C1 O4 C6 109.206
O2 C1 O3 125.780 O2 C1 O4 125.780
O3 C1 O4 108.440 O3 C5 C6 103.370
O4 C6 C5 103.370
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O3 C5 H7 109.537 O3 C5 H8 109.767
O4 C6 H9 109.537 O4 C6 H10 109.767
C5 C6 H9 113.167 C5 C6 H10 111.900
C6 C5 H7 113.167 C6 C5 H8 111.900
H7 C5 H8 108.951 H9 C6 H10 108.951

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