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Geometry for CHNHCH (1H-Azirine) 1A' CS

1910171554
InChI=1S/C2H3N/c1-2-3-1/h1-3H INChIKey=ZHKJHQBOAJQXQR-UHFFFAOYSA-N

QCISD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0376 0.9070 0.0000   0.0027 -0.0375 0.9070
C2 -0.0376 -0.4791 0.6481   0.6491 0.0100 -0.4791
C3 -0.0376 -0.4791 -0.6481   -0.6436 -0.0849 -0.4791
H4 0.9501 1.2194 0.0000   -0.0695 0.9475 1.2194
H5 -0.1182 -0.9095 1.6422   1.6464 0.0023 -0.9095
H6 -0.1182 -0.9095 -1.6422   -1.6291 -0.2381 -0.9095
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5301 1.5301 1.0359 2.4501 2.4501
C2 1.5301 1.2962 2.0689 1.0863 2.3317
C3 1.5301 1.2962 2.0689 2.3317 1.0863
H4 1.0359 2.0689 2.0689 2.8931 2.8931
H5 2.4501 1.0863 2.3317 2.8931 3.2843
H6 2.4501 2.3317 1.0863 2.8931 3.2843
Maximum atom distance is 3.2843Å between atoms H5 and H6.
picture of 1H-Azirine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 64.941 N1 C3 C2 64.941
C2 N1 C3 50.118
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 138.291 N1 C3 H6 138.291
C2 N1 H4 105.854 C2 C3 H6 156.227
C3 N1 H4 105.854 C3 C2 H5 156.227

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