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Geometry for CH2NOH (formaldoxime) 1A' CS

1910171554
InChI=1S/CH3NO/c1-2-3/h3H,1H2 INChIKey=SQDFHQJTAWCFIB-UHFFFAOYSA-N

QCISD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1403 -0.0461 0.0000   -1.1150 0.2432 0.0000
N2 0.0000 0.5461 0.0000   -0.0947 -0.5379 0.0000
O3 -1.0359 -0.3961 0.0000   1.0889 0.2104 0.0000
H4 1.2382 -1.1420 0.0000   -1.0214 1.3394 0.0000
H5 2.0269 0.5954 0.0000   -2.0995 -0.2349 0.0000
H6 -1.8193 0.1691 0.0000   1.7624 -0.4820 0.0000
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.2849 2.2041 1.1003 1.0944 2.9674
N2 1.2849 1.4003 2.0936 2.0275 1.8580
O3 2.2041 1.4003 2.3933 3.2193 0.9660
H4 1.1003 2.0936 2.3933 1.9081 3.3267
H5 1.0944 2.0275 3.2193 1.9081 3.8698
H6 2.9674 1.8580 0.9660 3.3267 3.8698
Maximum atom distance is 3.8698Å between atoms H5 and H6.
picture of formaldoxime
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 O3 110.264
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 122.554 N2 C1 H5 116.664
N2 O3 H6 101.906 H4 C1 H5 120.782

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