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Geometry for CN2 (3H-Diazirin-3-ylidene) 1A1 C2V

1910171554
InChI=1S/CN2/c1-2-3-1 INChIKey=NHKSYIUFCMYMCT-UHFFFAOYSA-N

B3LYP/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.9267   0.9267 0.0000 0.0000
N2 0.0000 0.6953 -0.3971   -0.3971 0.6953 0.0000
N3 0.0000 -0.6953 -0.3971   -0.3971 -0.6953 0.0000
Atom - Atom Distances (Å)
  C1 N2 N3
C1 1.4953 1.4953
N2 1.4953 1.3906
N3 1.4953 1.3906
Maximum atom distance is 1.4953Å between atoms C1 and N2.
picture of 3H-Diazirin-3-ylidene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 N3 62.289 C1 N3 N2 62.289
N2 C1 N3 55.421

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