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Geometry for CH3CHNOH (Acetaldoxime) 1A' CS cis

1910171554
InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2- INChIKey=FZENGILVLUJGJX-IHWYPQMZSA-N

wB97X-D/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.4429 0.4729 0.0000   -1.4224 -0.5313 0.0000
C2 0.0000 0.8811 0.0000   -0.5501 0.6883 0.0000
N3 1.0316 0.1209 0.0000   0.7304 0.7384 0.0000
O4 0.6374 -1.2908 0.0000   1.3037 -0.6105 0.0000
H5 1.5203 -1.7292 0.0000   2.2672 -0.4017 0.0000
H6 -1.5236 -0.6126 0.0000   -0.8078 -1.4297 0.0000
H7 -1.9464 0.8779 0.8850   -2.0686 -0.5293 0.8850
H8 -1.9464 0.8779 -0.8850   -2.0686 -0.5293 -0.8850
H9 0.2335 1.9416 0.0000   -1.0297 1.6625 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.4995 2.4994 2.7273 3.6919 1.0885 1.0958 1.0958 2.2287
C2 1.4995 1.2815 2.2635 3.0208 2.1337 2.1382 2.1382 1.0859
N3 2.4994 1.2815 1.4657 1.9135 2.6584 3.1977 3.1977 1.9880
O4 2.7273 2.2635 1.4657 0.9858 2.2649 3.4875 3.4875 3.2575
H5 3.6919 3.0208 1.9135 0.9858 3.2423 4.4270 4.4270 3.8898
H6 1.0885 2.1337 2.6584 2.2649 3.2423 1.7843 1.7843 3.1002
H7 1.0958 2.1382 3.1977 3.4875 4.4270 1.7843 1.7701 2.5820
H8 1.0958 2.1382 3.1977 3.4875 4.4270 1.7843 1.7701 2.5820
H9 2.2287 1.0859 1.9880 3.2575 3.8898 3.1002 2.5820 2.5820
Maximum atom distance is 4.4270Å between atoms H5 and H7.
picture of Acetaldoxime
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 127.815 C2 N3 O4 110.786
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 118.212 C2 C1 H6 110.049
C2 C1 H7 109.972 C2 C1 H8 109.972
N3 C2 H9 113.973 N3 O4 H5 100.802
H6 C1 H7 109.540 H6 C1 H8 109.540
H7 C1 H8 107.731

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