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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

HF/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3658 0.3337 0.0000   -1.3262 0.4668 0.0000
O2 0.0000 0.8542 0.0000   -0.4668 -0.7154 0.0000
H3 1.9752 1.2190 0.0000   -2.3204 0.0584 0.0000
H4 1.5413 -0.2592 0.8842   -1.1492 1.0593 0.8842
H5 1.5413 -0.2592 -0.8842   -1.1492 1.0593 -0.8842
N6 -1.0482 -0.0176 0.0000   0.8875 -0.5581 0.0000
O7 -0.7394 -1.1767 0.0000   1.2622 0.5815 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3 H4 H5 N6 O7
C1 1.4616 1.0748 1.0790 1.0790 2.4394 2.5910
O2 1.4616 2.0086 2.0969 2.0969 1.3634 2.1614
H3 1.0748 2.0086 1.7763 1.7763 3.2665 3.6206
H4 1.0790 2.0969 1.7763 1.7685 2.7470 2.6125
H5 1.0790 2.0969 1.7763 1.7685 2.7470 2.6125
N6 2.4394 1.3634 3.2665 2.7470 2.7470 1.1996
O7 2.5910 2.1614 3.6206 2.6125 2.6125 1.1996
Maximum atom distance is 3.6206Å 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 119.387 O2 N6 O7 114.830
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H3 103.678 O2 C1 H4 110.345
O2 C1 H5 110.345 H3 C1 H4 111.124
H3 C1 H5 111.124 H4 C1 H5 110.074

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