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Geometry for CH3NO (nitrosomethane) 1A' CS

1910171554
InChI=1S/CH3NO/c1-2-3/h1H3 INChIKey=IMHRONYAKYWGCC-UHFFFAOYSA-N

B1B95/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9400 -0.5652 0.0000   1.0820 0.1800 0.0000
N2 0.0000 0.5643 0.0000   -0.2074 -0.5247 0.0000
O3 1.1517 0.2312 0.0000   -1.1560 0.2084 0.0000
H4 -0.4151 -1.5258 0.0000   0.9470 1.2663 0.0000
H5 -1.5792 -0.4413 0.8825   1.6309 -0.1702 0.8825
H6 -1.5792 -0.4413 -0.8825   1.6309 -0.1702 -0.8825
Atom - Atom Distances (Å)
  C1 N2 O3 H4 H5 H6
C1 1.4694 2.2382 1.0947 1.0967 1.0967
N2 1.4694 1.1989 2.1309 2.0698 2.0698
O3 2.2382 1.1989 2.3541 2.9477 2.9477
H4 1.0947 2.1309 2.3541 1.8193 1.8193
H5 1.0967 2.0698 2.9477 1.8193 1.7650
H6 1.0967 2.0698 2.9477 1.8193 1.7650
Maximum atom distance is 2.9477Å between atoms O3 and H5.
picture of nitrosomethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 O3 113.640
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 111.576 N2 C1 H5 106.623
N2 C1 H6 106.623 H4 C1 H5 112.246
H4 C1 H6 112.246 H5 C1 H6 107.160

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