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Geometry for CH3NO3 (Methyl nitrate) 1A' CS

1910171554
InChI=1S/CH3NO3/c1-5-2(3)4/h1H3 INChIKey=LRMHVVPPGGOAJQ-UHFFFAOYSA-N

PM3


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
N1 0.0000 0.6827 0.0000
O2 -1.1933 0.7418 0.0000
O3 0.8575 1.5035 0.0000
O4 0.6410 -0.6963 0.0000
C5 -0.2114 -1.8061 0.0000
H6 0.5049 -2.6332 0.0000
H7 -0.8391 -1.8505 0.8973
H8 -0.8391 -1.8505 -0.8973
Atom - Atom Distances (Å)
  N1 O2 O3 O4 C5 H6 H7 H8
N1 1.1948 1.1870 1.5208 2.4978 3.3542 2.8154 2.8154
O2 1.1948 2.1877 2.3308 2.7305 3.7782 2.7660 2.7660
O3 1.1870 2.1877 2.2104 3.4779 4.1517 3.8643 3.8643
O4 1.5208 2.3308 2.2104 1.3993 1.9417 2.0803 2.0803
C5 2.4978 2.7305 3.4779 1.3993 1.0942 1.0959 1.0959
H6 3.3542 3.7782 4.1517 1.9417 1.0942 1.7956 1.7956
H7 2.8154 2.7660 3.8643 2.0803 1.0959 1.7956 1.7946
H8 2.8154 2.7660 3.8643 2.0803 1.0959 1.7956 1.7946
Maximum atom distance is 4.1517Å between atoms O3 and H6.
picture of Methyl nitrate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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