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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

B3LYP/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0349 0.9009 0.0000   0.8960 0.0000 -0.0998
C2 -0.0349 -0.4792 0.6395   -0.4804 0.6395 -0.0003
C3 -0.0349 -0.4792 -0.6395   -0.4804 -0.6395 -0.0003
H4 0.9354 1.2420 0.0000   1.3062 0.0000 0.8434
H5 -0.1361 -0.8991 1.6249   -0.9066 1.6249 -0.0709
H6 -0.1361 -0.8991 -1.6249   -0.9066 -1.6249 -0.0709
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5210 1.5210 1.0285 2.4271 2.4271
C2 1.5210 1.2789 2.0767 1.0760 2.3052
C3 1.5210 1.2789 2.0767 2.3052 1.0760
H4 1.0285 2.0767 2.0767 2.8936 2.8936
H5 2.4271 1.0760 2.3052 2.8936 3.2498
H6 2.4271 2.3052 1.0760 2.8936 3.2498
Maximum atom distance is 3.2498Å 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 65.139 N1 C3 C2 65.139
C2 N1 C3 49.722
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.663 N1 C3 H6 137.663
C2 N1 H4 107.512 C2 C3 H6 156.329
C3 N1 H4 107.512 C3 C2 H5 156.329

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