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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

HF/SDD


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.8897   0.8897 0.0000 0.0000
O2 0.0000 0.0000 2.0759   2.0759 0.0000 0.0000
O3 0.0000 1.1277 0.0490   0.0490 1.1263 -0.0567
O4 0.0000 -1.1277 0.0490   0.0490 -1.1263 0.0567
C5 0.1194 0.7676 -1.3055   -1.3055 0.7726 0.0806
C6 -0.1194 -0.7676 -1.3055   -1.3055 -0.7726 -0.0806
H7 -0.6181 1.3034 -1.8765   -1.8765 1.2707 -0.6828
H8 1.1055 1.0278 -1.6551   -1.6551 1.0820 1.0525
H9 0.6181 -1.3034 -1.8765   -1.8765 -1.2707 0.6828
H10 -1.1055 -1.0278 -1.6551   -1.6551 -1.0820 -1.0525
Atom - Atom Distances (Å)
  C1 O2 O3 O4 C5 C6 H7 H8 H9 H10
C1 1.1862 1.4066 1.4066 2.3286 2.3286 3.1198 2.9588 3.1198 2.9588
O2 1.1862 2.3195 2.3195 3.4695 3.4695 4.2074 4.0248 4.2074 4.0248
O3 1.4066 2.3195 2.2555 1.4066 2.3326 2.0299 2.0338 3.1623 2.9618
O4 1.4066 2.3195 2.2555 2.3326 1.4066 3.1623 2.9618 2.0299 2.0338
C5 2.3286 3.4695 1.4066 2.3326 1.5537 1.0756 1.0781 2.2054 2.2013
C6 2.3286 3.4695 2.3326 1.4066 1.5537 2.2054 2.2013 1.0756 1.0781
H7 3.1198 4.2074 2.0299 3.1623 1.0756 2.2054 1.7595 2.8851 2.3919
H8 2.9588 4.0248 2.0338 2.9618 1.0781 2.2013 1.7595 2.3919 3.0189
H9 3.1198 4.2074 3.1623 2.0299 2.2054 1.0756 2.8851 2.3919 1.7595
H10 2.9588 4.0248 2.9618 2.0338 2.2013 1.0781 2.3919 3.0189 1.7595
Maximum atom distance is 4.2074Å 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 111.733 C1 O4 C6 111.733
O2 C1 O3 126.705 O2 C1 O4 126.705
O3 C1 O4 106.590 O3 C5 C6 103.883
O4 C6 C5 103.883
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O3 C5 H7 108.992 O3 C5 H8 109.154
O4 C6 H9 108.992 O4 C6 H10 109.154
C5 C6 H9 112.761 C5 C6 H10 112.270
C6 C5 H7 112.761 C6 C5 H8 112.270
H7 C5 H8 109.558 H9 C6 H10 109.558

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