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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

CCD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3100 1.3006 0.0000   0.0832 -1.8441 0.0000
C2 0.0000 0.5625 0.0000   0.4166 -0.3779 0.0000
N3 0.0092 -0.7194 0.0000   -0.5267 0.4902 0.0000
O4 1.3233 -1.1990 0.0000   0.0009 1.7857 0.0000
H5 1.1895 -2.1538 0.0000   -0.7962 2.3280 0.0000
H6 -2.1464 0.5832 0.0000   -1.0100 -1.9817 0.0000
H7 -1.3920 1.9491 0.8910   0.5086 -2.3405 0.8910
H8 -1.3920 1.9491 -0.8910   0.5086 -2.3405 -0.8910
H9 0.9499 1.1220 0.0000   1.4692 -0.0501 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5037 2.4127 3.6308 4.2639 1.1018 1.1051 1.1051 2.2670
C2 1.5037 1.2820 2.2032 2.9653 2.1465 2.1574 2.1574 1.1024
N3 2.4127 1.2820 1.3989 1.8575 2.5186 3.1430 3.1430 2.0678
O4 3.6308 2.2032 1.3989 0.9641 3.9007 4.2518 4.2518 2.3508
H5 4.2639 2.9653 1.8575 0.9641 4.3150 4.9287 4.9287 3.2845
H6 1.1018 2.1465 2.5186 3.9007 4.3150 1.7968 1.7968 3.1428
H7 1.1051 2.1574 3.1430 4.2518 4.9287 1.7968 1.7821 2.6387
H8 1.1051 2.1574 3.1430 4.2518 4.9287 1.7968 1.7821 2.6387
H9 2.2670 1.1024 2.0678 2.3508 3.2845 3.1428 2.6387 2.6387
Maximum atom distance is 4.9287Å 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 119.809 C2 N3 O4 110.462
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H9 120.107 C2 C1 H6 109.982
C2 C1 H7 110.650 C2 C1 H8 110.650
N3 C2 H9 120.084 N3 O4 H5 102.071
H6 C1 H7 109.013 H6 C1 H8 109.013
H7 C1 H8 107.471

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