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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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0390 0.9108 0.0000   0.0028 -0.0389 0.9108
C2 -0.0390 -0.4808 0.6460   0.6471 0.0079 -0.4808
C3 -0.0390 -0.4808 -0.6460   -0.6415 -0.0858 -0.4808
H4 0.9622 1.2175 0.0000   -0.0698 0.9597 1.2175
H5 -0.1103 -0.9120 1.6452   1.6489 0.0093 -0.9120
H6 -0.1103 -0.9120 -1.6452   -1.6329 -0.2292 -0.9120
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5342 1.5342 1.0472 2.4565 2.4565
C2 1.5342 1.2920 2.0746 1.0906 2.3325
C3 1.5342 1.2920 2.0746 2.3325 1.0906
H4 1.0472 2.0746 2.0746 2.8969 2.8969
H5 2.4565 1.0906 2.3325 2.8969 3.2904
H6 2.4565 2.3325 1.0906 2.8969 3.2904
Maximum atom distance is 3.2904Å 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 65.098 N1 C3 C2 65.098
C2 N1 C3 49.804
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 138.109 N1 C3 H6 138.109
C2 N1 H4 105.407 C2 C3 H6 156.375
C3 N1 H4 105.407 C3 C2 H5 156.375

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