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Geometry for C2H3OC2H5 (Ethene, ethoxy-) 1A C1

1910171554
InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3 INChIKey=FJKIXWOMBXYWOQ-UHFFFAOYSA-N

B3LYP/CEP-121G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.5239 -0.3157 0.0002   -2.5225 0.3266 0.0002
H2 -2.5458 -1.4020 0.0007   -2.5397 1.4130 0.0006
H3 -3.4648 0.2262 0.0001   -3.4657 -0.2112 0.0001
C4 -1.3546 0.3608 -0.0003   -1.3561 -0.3549 -0.0003
H5 -1.3007 1.4526 -0.0008   -1.3070 -1.4469 -0.0007
O6 -0.1167 -0.3024 -0.0003   -0.1154 0.3029 -0.0004
C7 1.0832 0.5571 0.0004   1.0808 -0.5618 0.0005
H8 1.0689 1.1978 0.8967   1.0638 -1.2023 0.8968
H9 1.0691 1.1991 -0.8948   1.0639 -1.2039 -0.8947
C10 2.3058 -0.3684 -0.0001   2.3073 0.3584 -0.0002
H11 2.3005 -1.0104 0.8881   2.3049 1.0005 0.8880
H12 2.3009 -1.0089 -0.8894   2.3053 0.9988 -0.8896
H13 3.2297 0.2252 0.0006   3.2287 -0.2392 0.0006
Atom - Atom Distances (Å)
  C1 H2 H3 C4 H5 O6 C7 H8 H9 C10 H11 H12 H13
C1 1.0866 1.0857 1.3509 2.1501 2.4073 3.7112 4.0004 4.0007 4.8300 4.9544 4.9549 5.7790
H2 1.0866 1.8696 2.1275 3.1143 2.6664 4.1240 4.5418 4.5427 4.9604 4.9425 4.9434 6.0004
H3 1.0857 1.8696 2.1145 2.4874 3.3896 4.5600 4.7226 4.7227 5.8011 5.9629 5.9632 6.6945
C4 1.3509 2.1275 2.1145 1.0931 1.4044 2.4457 2.7164 2.7161 3.7322 4.0036 4.0036 4.5863
H5 2.1501 3.1143 2.4874 1.0931 2.1171 2.5465 2.5467 2.5455 4.0401 4.4525 4.4519 4.6937
O6 2.4073 2.6664 3.3896 1.4044 2.1171 1.4760 2.1121 2.1121 2.4233 2.6709 2.6710 3.3878
C7 3.7112 4.1240 4.5600 2.4457 2.5465 1.4760 1.1018 1.1018 1.5333 2.1741 2.1741 2.1720
H8 4.0004 4.5418 4.7226 2.7164 2.5467 2.1121 1.1018 1.7915 2.1879 2.5284 3.0947 2.5334
H9 4.0007 4.5427 4.7227 2.7161 2.5455 2.1121 1.1018 1.7915 2.1879 3.0947 2.5284 2.5335
C10 4.8300 4.9604 5.8011 3.7322 4.0401 2.4233 1.5333 2.1879 2.1879 1.0959 1.0959 1.0982
H11 4.9544 4.9425 5.9629 4.0036 4.4525 2.6709 2.1741 2.5284 3.0947 1.0959 1.7776 1.7826
H12 4.9549 4.9434 5.9632 4.0036 4.4519 2.6710 2.1741 3.0947 2.5284 1.0959 1.7776 1.7826
H13 5.7790 6.0004 6.6945 4.5863 4.6937 3.3878 2.1720 2.5334 2.5335 1.0982 1.7826 1.7826
Maximum atom distance is 6.6945Å between atoms H3 and H13.
picture of Ethene, ethoxy-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 O6 121.772 C4 O6 C7 116.205
O6 C7 C10 107.258
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H5 122.873 H2 C1 H3 118.786
H2 C1 C4 121.201 H3 C1 C4 120.014
H5 C4 O6 115.355 O6 C7 H8 109.181
O6 C7 H9 109.180 C7 C10 H11 110.454
C7 C10 H12 110.456 C7 C10 H13 110.155
H8 C7 H9 108.779 H8 C7 C10 111.199
H9 C7 C10 111.199 H11 C10 H12 108.382
H11 C10 H13 108.668 H12 C10 H13 108.669

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