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Geometry for CH3N3 (methyl azide) 1A' CS

1910171554
InChI=1S/CH3N3/c1-3-4-2/h1H3 INChIKey=PBTHJVDBCFJQGG-UHFFFAOYSA-N

HF/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1240 -1.5863 0.0000   -1.5793 0.1936 0.0000
N2 0.6909 -0.3334 0.0000   -0.1895 0.7433 0.0000
N3 0.0000 0.7378 0.0000   0.7231 -0.1466 0.0000
N4 -0.4558 1.7729 0.0000   1.6470 -0.7989 0.0000
H5 0.5932 -2.3918 0.0000   -2.2263 1.0566 0.0000
H6 -0.7474 -1.6658 0.8870   -1.7811 -0.4016 0.8870
H7 -0.7474 -1.6658 -0.8870   -1.7811 -0.4016 -0.8870
Atom - Atom Distances (Å)
  C1 N2 N3 N4 H5 H6 H7
C1 1.4946 2.3274 3.3755 1.0786 1.0871 1.0871
N2 1.4946 1.2747 2.3982 2.0608 2.1519 2.1519
N3 2.3274 1.2747 1.1309 3.1854 2.6689 2.6689
N4 3.3755 2.3982 1.1309 4.2948 3.5632 3.5632
H5 1.0786 2.0608 3.1854 4.2948 1.7639 1.7639
H6 1.0871 2.1519 2.6689 3.5632 1.7639 1.7740
H7 1.0871 2.1519 2.6689 3.5632 1.7639 1.7740
Maximum atom distance is 4.2948Å between atoms N4 and H5.
picture of methyl azide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 N3 114.140 N2 N3 N4 170.948
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H5 105.282 N2 C1 H6 111.964
N2 C1 H7 111.964 H5 C1 H6 109.068
H5 C1 H7 109.068 H6 C1 H7 109.359

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