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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/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0353 0.9028 0.0000   0.0024 -0.0352 0.9028
C2 -0.0353 -0.4796 0.6362   0.6372 0.0088 -0.4796
C3 -0.0353 -0.4796 -0.6362   -0.6323 -0.0792 -0.4796
H4 0.9363 1.2367 0.0000   -0.0648 0.9341 1.2367
H5 -0.1326 -0.9009 1.6205   1.6258 -0.0202 -0.9009
H6 -0.1326 -0.9009 -1.6205   -1.6074 -0.2443 -0.9009
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5218 1.5218 1.0274 2.4267 2.4267
C2 1.5218 1.2725 2.0723 1.0751 2.2978
C3 1.5218 1.2725 2.0723 2.2978 1.0751
H4 1.0274 2.0723 2.0723 2.8875 2.8875
H5 2.4267 1.0751 2.2978 2.8875 3.2410
H6 2.4267 2.2978 1.0751 2.8875 3.2410
Maximum atom distance is 3.2410Å 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 65.286 N1 C3 C2 65.286
C2 N1 C3 49.427
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.630 N1 C3 H6 137.630
C2 N1 H4 107.169 C2 C3 H6 156.282
C3 N1 H4 107.169 C3 C2 H5 156.282

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