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Geometry for CH3CHNOH (Acetaldoxime) 1A' CS trans

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

HF/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3173 1.3180 0.0000   1.8618 -0.0793 0.0000
C2 0.0000 0.5600 0.0000   0.4126 0.3787 0.0000
N3 0.0079 -0.7235 0.0000   -0.5384 -0.4834 0.0000
O4 1.3337 -1.2099 0.0000   -1.7932 0.1645 0.0000
H5 1.1822 -2.1923 0.0000   -2.4146 -0.6114 0.0000
H6 -2.1493 0.6212 0.0000   1.9110 -1.1634 0.0000
H7 -1.3887 1.9539 0.8797   2.3785 0.2981 0.8797
H8 -1.3887 1.9539 -0.8797   2.3785 0.2981 -0.8797
H9 0.9239 1.1388 0.0000   0.2143 1.4508 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5198 2.4339 3.6630 4.3093 1.0852 1.0878 1.0878 2.2484
C2 1.5198 1.2836 2.2161 2.9955 2.1502 2.1553 2.1553 1.0903
N3 2.4339 1.2836 1.4122 1.8805 2.5420 3.1453 3.1453 2.0755
O4 3.6630 2.2161 1.4122 0.9940 3.9350 4.2655 4.2655 2.3842
H5 4.3093 2.9955 1.8805 0.9940 4.3606 4.9573 4.9573 3.3412
H6 1.0852 2.1502 2.5420 3.9350 4.3606 1.7687 1.7687 3.1165
H7 1.0878 2.1553 3.1453 4.2655 4.9573 1.7687 1.7595 2.6051
H8 1.0878 2.1553 3.1453 4.2655 4.9573 1.7687 1.7595 2.6051
H9 2.2484 1.0903 2.0755 2.3842 3.3412 3.1165 2.6051 2.6051
Maximum atom distance is 4.9573Å 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 120.268 C2 N3 O4 110.496
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 118.018 C2 C1 H6 110.140
C2 C1 H7 110.391 C2 C1 H8 110.391
N3 C2 H9 121.714 N3 O4 H5 101.381
H6 C1 H7 108.965 H6 C1 H8 108.965
H7 C1 H8 107.938

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