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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

HF/LANL2DZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.4544 -0.3193 0.0002   -2.4557 -0.3083 0.0164
H2 2.4648 -1.3916 0.0005   -2.4707 -1.3799 0.0558
H3 3.3924 0.1995 0.0001   -3.3915 0.2142 -0.0008
C4 1.3136 0.3608 -0.0002   -1.3121 0.3663 -0.0109
H5 1.2897 1.4374 -0.0005   -1.2835 1.4421 -0.0505
O6 0.0853 -0.2626 -0.0002   -0.0864 -0.2620 0.0095
C7 -1.1033 0.5549 0.0003   1.1057 0.5497 -0.0220
H8 -1.1023 1.1888 -0.8809   1.1056 1.1510 -0.9257
H9 -1.1021 1.1880 0.8819   1.1090 1.2145 0.8359
C10 -2.3026 -0.3783 -0.0000   2.3010 -0.3881 0.0095
H11 -2.2860 -1.0114 -0.8777   2.2799 -1.0527 -0.8444
H12 -2.2858 -1.0122 0.8770   2.2832 -0.9895 0.9091
H13 -3.2249 0.1931 0.0003   3.2257 0.1789 -0.0128
Atom - Atom Distances (Å)
  C1 H2 H3 C4 H5 O6 C7 H8 H9 C10 H11 H12 H13
C1 1.0724 1.0719 1.3281 2.1077 2.3698 3.6635 3.9624 3.9621 4.7574 4.8704 4.8702 5.7024
H2 1.0724 1.8418 2.0967 3.0634 2.6338 4.0645 4.4899 4.4893 4.8739 4.8462 4.8457 5.9063
H3 1.0719 1.8418 2.0850 2.4401 3.3392 4.5098 4.6859 4.6857 5.7243 5.8721 5.8719 6.6173
C4 1.3281 2.0967 2.0850 1.0769 1.3775 2.4247 2.7015 2.7015 3.6910 3.9510 3.9510 4.5417
H5 2.1077 3.0634 2.4401 1.0769 2.0834 2.5505 2.5610 2.5616 4.0251 4.4217 4.4221 4.6830
O6 2.3698 2.6338 3.3392 1.3775 2.0834 1.4426 2.0718 2.0718 2.3907 2.6370 2.6370 3.3414
C7 3.6635 4.0645 4.5098 2.4247 2.5505 1.4426 1.0854 1.0854 1.5196 2.1501 2.1501 2.1522
H8 3.9624 4.4899 4.6859 2.7015 2.5610 2.0718 1.0854 1.7628 2.1615 2.4984 3.0553 2.5047
H9 3.9621 4.4893 4.6857 2.7015 2.5616 2.0718 1.0854 1.7628 2.1615 3.0553 2.4983 2.5047
C10 4.7574 4.8739 5.7243 3.6910 4.0251 2.3907 1.5196 2.1615 2.1615 1.0823 1.0823 1.0849
H11 4.8704 4.8462 5.8721 3.9510 4.4217 2.6370 2.1501 2.4984 3.0553 1.0823 1.7547 1.7616
H12 4.8702 4.8457 5.8719 3.9510 4.4221 2.6370 2.1501 3.0553 2.4983 1.0823 1.7547 1.7616
H13 5.7024 5.9063 6.6173 4.5417 4.6830 3.3414 2.1522 2.5047 2.5047 1.0849 1.7616 1.7616
Maximum atom distance is 6.6173Å 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 122.286 C4 O6 C7 118.571
O6 C7 C10 107.592
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H5 122.079 H2 C1 H3 118.388
H2 C1 C4 121.361 H3 C1 C4 120.251
H5 C4 O6 115.635 O6 C7 H8 109.262
O6 C7 H9 109.262 C7 C10 H11 110.320
C7 C10 H12 110.320 C7 C10 H13 110.334
H8 C7 H9 108.592 H8 C7 C10 111.050
H9 C7 C10 111.051 H11 C10 H12 108.320
H11 C10 H13 108.746 H12 C10 H13 108.746

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