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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

B3PW91/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.4441 -0.2945 0.0018   2.4435 -0.2995 0.0110
H2 -2.4940 -1.3777 0.0080   2.4911 -1.3817 0.0603
H3 -3.3686 0.2692 -0.0011   3.3692 0.2616 -0.0153
C4 -1.2768 0.3475 -0.0030   1.2775 0.3444 -0.0182
H5 -1.2192 1.4372 -0.0092   1.2222 1.4330 -0.0677
O6 -0.0845 -0.3001 -0.0020   0.0838 -0.3002 0.0099
C7 1.0673 0.5364 0.0044   -1.0661 0.5384 -0.0159
H8 1.0576 1.1791 0.8972   -1.0541 1.2162 0.8506
H9 1.0582 1.1918 -0.8792   -1.0566 1.1581 -0.9249
C10 2.2925 -0.3515 -0.0016   -2.2933 -0.3463 0.0148
H11 2.3030 -0.9983 0.8799   -2.3041 -0.9574 0.9213
H12 2.3040 -0.9852 -0.8925   -2.3070 -1.0150 -0.8502
H13 3.2014 0.2575 0.0035   -3.2009 0.2644 -0.0035
Atom - Atom Distances (Å)
  C1 H2 H3 C4 H5 O6 C7 H8 H9 C10 H11 H12 H13
C1 1.0844 1.0828 1.3323 2.1211 2.3597 3.6084 3.9033 3.9053 4.7370 4.8787 4.8807 5.6725
H2 1.0844 1.8648 2.1114 3.0901 2.6395 4.0430 4.4656 4.4730 4.8953 4.8903 4.8975 5.9255
H3 1.0828 1.8648 2.0934 2.4463 3.3331 4.4439 4.6073 4.6064 5.6951 5.8779 5.8776 6.5701
C4 1.3323 2.1114 2.0934 1.0912 1.3568 2.3516 2.6365 2.6329 3.6371 3.9250 3.9228 4.4791
H5 2.1211 3.0901 2.4463 1.0912 2.0750 2.4575 2.4641 2.4502 3.9410 4.3735 4.3658 4.5753
O6 2.3597 2.6395 3.3331 1.3568 2.0750 1.4235 2.0739 2.0739 2.3776 2.6392 2.6395 3.3329
C7 3.6084 4.0430 4.4439 2.3516 2.4575 1.4235 1.1001 1.1002 1.5132 2.1561 2.1561 2.1523
H8 3.9033 4.4656 4.6073 2.6365 2.4641 2.0739 1.1001 1.7764 2.1623 2.5084 3.0725 2.4988
H9 3.9053 4.4730 4.6064 2.6329 2.4502 2.0739 1.1002 1.7764 2.1623 3.0725 2.5082 2.4991
C10 4.7370 4.8953 5.6951 3.6371 3.9410 2.3776 1.5132 2.1623 2.1623 1.0934 1.0934 1.0940
H11 4.8787 4.8903 5.8779 3.9250 4.3735 2.6392 2.1561 2.5084 3.0725 1.0934 1.7725 1.7755
H12 4.8807 4.8975 5.8776 3.9228 4.3658 2.6395 2.1561 3.0725 2.5082 1.0934 1.7725 1.7755
H13 5.6725 5.9255 6.5701 4.4791 4.5753 3.3329 2.1523 2.4988 2.4991 1.0940 1.7755 1.7755
Maximum atom distance is 6.5701Å 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 122.680 C4 O6 C7 115.498
O6 C7 C10 108.080
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H5 121.833 H2 C1 H3 118.736
H2 C1 C4 121.443 H3 C1 C4 119.821
H5 C4 O6 115.487 O6 C7 H8 109.869
O6 C7 H9 109.866 C7 C10 H11 110.589
C7 C10 H12 110.592 C7 C10 H13 110.246
H8 C7 H9 107.677 H8 C7 C10 110.676
H9 C7 C10 110.675 H11 C10 H12 108.302
H11 C10 H13 108.520 H12 C10 H13 108.523

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