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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(T)/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0366 0.9059 0.0000   0.9012 0.0000 -0.0994
C2 -0.0366 -0.4800 0.6419   -0.4813 0.6419 -0.0032
C3 -0.0366 -0.4800 -0.6419   -0.4813 -0.6419 -0.0032
H4 0.9384 1.2206 0.0000   1.2829 0.0000 0.8514
H5 -0.1217 -0.9012 1.6245   -0.9075 1.6245 -0.0588
H6 -0.1217 -0.9012 -1.6245   -0.9075 -1.6245 -0.0588
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5273 1.5273 1.0245 2.4314 2.4314
C2 1.5273 1.2839 2.0627 1.0724 2.3068
C3 1.5273 1.2839 2.0627 2.3068 1.0724
H4 1.0245 2.0627 2.0627 2.8748 2.8748
H5 2.4314 1.0724 2.3068 2.8748 3.2489
H6 2.4314 2.3068 1.0724 2.8748 3.2489
Maximum atom distance is 3.2489Å 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 65.146 N1 C3 C2 65.146
C2 N1 C3 49.707
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.859 N1 C3 H6 137.859
C2 N1 H4 106.186 C2 C3 H6 156.376
C3 N1 H4 106.186 C3 C2 H5 156.376

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