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Geometry for C2H4CO3 (Ethylene carbonate) 1A1 C2V

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

CCD/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8984   0.8984 0.0000 0.0000
O2 0.0000 0.0000 2.0968   2.0968 0.0000 0.0000
O3 0.0000 1.1682 0.0616   0.0616 1.1682 0.0000
O4 0.0000 -1.1682 0.0616   0.0616 -1.1682 0.0000
C5 0.0000 0.7920 -1.3253   -1.3253 0.7920 0.0000
C6 0.0000 -0.7920 -1.3253   -1.3253 -0.7920 0.0000
H7 -0.8960 1.1921 -1.8116   -1.8116 1.1921 -0.8960
H8 0.8960 1.1921 -1.8116   -1.8116 1.1921 0.8960
H9 0.8960 -1.1921 -1.8116   -1.8116 -1.1921 0.8960
H10 -0.8960 -1.1921 -1.8116   -1.8116 -1.1921 -0.8960
Atom - Atom Distances (Å)
  C1 O2 O3 O4 C5 C6 H7 H8 H9 H10
C1 1.1984 1.4370 1.4370 2.3605 2.3605 3.0932 3.0932 3.0932 3.0932
O2 1.1984 2.3467 2.3467 3.5125 3.5125 4.1833 4.1833 4.1833 4.1833
O3 1.4370 2.3467 2.3364 1.4370 2.4012 2.0766 2.0766 3.1437 3.1437
O4 1.4370 2.3467 2.3364 2.4012 1.4370 3.1437 3.1437 2.0766 2.0766
C5 2.3605 3.5125 1.4370 2.4012 1.5839 1.0952 1.0952 2.2306 2.2306
C6 2.3605 3.5125 2.4012 1.4370 1.5839 2.2306 2.2306 1.0952 1.0952
H7 3.0932 4.1833 2.0766 3.1437 1.0952 2.2306 1.7920 2.9825 2.3842
H8 3.0932 4.1833 2.0766 3.1437 1.0952 2.2306 1.7920 2.3842 2.9825
H9 3.0932 4.1833 3.1437 2.0766 2.2306 1.0952 2.9825 2.3842 1.7920
H10 3.0932 4.1833 3.1437 2.0766 2.2306 1.0952 2.3842 2.9825 1.7920
Maximum atom distance is 4.1833Å 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 110.435 C1 O4 C6 110.435
O2 C1 O3 125.614 O2 C1 O4 125.614
O3 C1 O4 108.772 O3 C5 C6 105.179
O4 C6 C5 105.179
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O3 C5 H7 109.445 O3 C5 H8 109.445
O4 C6 H9 109.445 O4 C6 H10 109.445
C5 C6 H9 111.429 C5 C6 H10 111.429
C6 C5 H7 111.429 C6 C5 H8 111.429
H7 C5 H8 109.796 H9 C6 H10 109.796

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