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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

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0354 0.8821 0.0000   0.0024 -0.0353 0.8821
C2 -0.0354 -0.4710 0.6274   0.6283 0.0081 -0.4710
C3 -0.0354 -0.4710 -0.6274   -0.6234 -0.0786 -0.4710
H4 0.9044 1.2387 0.0000   -0.0625 0.9022 1.2387
H5 -0.1163 -0.8807 1.6063   1.6105 -0.0051 -0.8807
H6 -0.1163 -0.8807 -1.6063   -1.5944 -0.2270 -0.8807
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.4915 1.4915 1.0051 2.3862 2.3862
C2 1.4915 1.2547 2.0493 1.0643 2.2724
C3 1.4915 1.2547 2.0493 2.2724 1.0643
H4 1.0051 2.0493 2.0493 2.8485 2.8485
H5 2.3862 1.0643 2.2724 2.8485 3.2126
H6 2.3862 2.2724 1.0643 2.8485 3.2126
Maximum atom distance is 3.2126Å 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 65.125 N1 C3 C2 65.125
C2 N1 C3 49.749
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.402 N1 C3 H6 137.402
C2 N1 H4 108.775 C2 C3 H6 156.897
C3 N1 H4 108.775 C3 C2 H5 156.897

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