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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/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0345 0.9052 0.0000   0.9006 0.0000 -0.0970
C2 -0.0345 -0.4843 0.6341   -0.4855 0.6341 -0.0009
C3 -0.0345 -0.4843 -0.6341   -0.4855 -0.6341 -0.0009
H4 0.8971 1.2941 0.0000   1.3530 0.0000 0.8055
H5 -0.1210 -0.9092 1.5993   -0.9154 1.5993 -0.0578
H6 -0.1210 -0.9092 -1.5993   -0.9154 -1.5993 -0.0578
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5273 1.5273 1.0095 2.4202 2.4202
C2 1.5273 1.2682 2.1054 1.0582 2.2751
C3 1.5273 1.2682 2.1054 2.2751 1.0582
H4 1.0095 2.1054 2.1054 2.9067 2.9067
H5 2.4202 1.0582 2.2751 2.9067 3.1987
H6 2.4202 2.2751 1.0582 2.9067 3.1987
Maximum atom distance is 3.1987Å 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 65.471 N1 C3 C2 65.471
C2 N1 C3 49.058
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 138.074 N1 C3 H6 138.074
C2 N1 H4 110.517 C2 C3 H6 155.808
C3 N1 H4 110.517 C3 C2 H5 155.808

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