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Geometry for CH3N3 (methyl azide) 1A' CS

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

AM1


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 -1.4399 -0.7271 0.0000
N2 0.0000 -0.6863 0.0000
N3 0.6316 0.3972 0.0000
N4 1.3848 1.2472 0.0000
H5 -1.6726 -1.8260 0.0000
H6 -1.9015 -0.2590 0.9111
H7 -1.9015 -0.2590 -0.9111
Atom - Atom Distances (Å)
  C1 N2 N3 N4 H5 H6 H7
C1 1.4405 2.3569 3.4463 1.1233 1.1236 1.1236
N2 1.4405 1.2542 2.3783 2.0240 2.1514 2.1514
N3 2.3569 1.2542 1.1357 3.2019 2.7708 2.7708
N4 3.4463 2.3783 1.1357 4.3351 3.7281 3.7281
H5 1.1233 2.0240 3.2019 4.3351 1.8271 1.8271
H6 1.1236 2.1514 2.7708 3.7281 1.8271 1.8222
H7 1.1236 2.1514 2.7708 3.7281 1.8271 1.8222
Maximum atom distance is 4.3351Å 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 121.859 N2 N3 N4 168.695
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H5 103.579 N2 C1 H6 113.512
N2 C1 H7 113.512 H5 C1 H6 108.810
H5 C1 H7 108.810 H6 C1 H7 108.373

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