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Geometry for CH3ONO (Methyl nitrite) 1A' CS cis

1910171554
InChI=1S/CH3NO2/c1-4-2-3/h1H3 INChIKey=BLLFVUPNHCTMSV-UHFFFAOYSA-N

TPSSh/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3385 0.3294 0.0000   -1.2900 0.4858 0.0000
O2 0.0000 0.8720 0.0000   -0.4935 -0.7190 0.0000
H3 1.9859 1.2044 0.0000   -2.3189 0.1308 0.0000
H4 1.5056 -0.2797 0.8920   -1.0831 1.0826 0.8920
H5 1.5056 -0.2797 -0.8920   -1.0831 1.0826 -0.8920
N6 -1.0309 -0.0241 0.0000   0.8636 -0.5635 0.0000
O7 -0.7265 -1.1787 0.0000   1.2659 0.5607 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 N6 O7
C1 1.4443 1.0884 1.0930 1.0930 2.3957 2.5571
O2 1.4443 2.0135 2.0950 2.0950 1.3659 2.1756
H3 1.0884 2.0135 1.7969 1.7969 3.2573 3.6105
H4 1.0930 2.0950 1.7969 1.7840 2.7009 2.5663
H5 1.0930 2.0950 1.7969 1.7840 2.7009 2.5663
N6 2.3957 1.3659 3.2573 2.7009 2.7009 1.1941
O7 2.5571 2.1756 3.6105 2.5663 2.5663 1.1941
Maximum atom distance is 3.6105Å between atoms H3 and O7.
picture of Methyl nitrite
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 N6 116.936 O2 N6 O7 116.224
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H3 104.430 O2 C1 H4 110.549
O2 C1 H5 110.549 H3 C1 H4 110.921
H3 C1 H5 110.921 H4 C1 H5 109.398

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