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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

PBE1PBE/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0354 0.9186 0.0000   0.9138 0.0000 -0.1004
C2 -0.0354 -0.4885 0.6432   -0.4897 0.6432 -0.0007
C3 -0.0354 -0.4885 -0.6432   -0.4897 -0.6432 -0.0007
H4 0.9394 1.2719 0.0000   1.3353 0.0000 0.8470
H5 -0.1336 -0.9203 1.6191   -0.9275 1.6191 -0.0681
H6 -0.1336 -0.9203 -1.6191   -0.9275 -1.6191 -0.0681
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5471 1.5471 1.0369 2.4521 2.4521
C2 1.5471 1.2864 2.1126 1.0717 2.3053
C3 1.5471 1.2864 2.1126 2.3053 1.0717
H4 1.0369 2.1126 2.1126 2.9290 2.9290
H5 2.4521 1.0717 2.3053 2.9290 3.2383
H6 2.4521 2.3053 1.0717 2.9290 3.2383
Maximum atom distance is 3.2383Å 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 65.433 N1 C3 C2 65.433
C2 N1 C3 49.133
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 138.164 N1 C3 H6 138.164
C2 N1 H4 108.055 C2 C3 H6 155.592
C3 N1 H4 108.055 C3 C2 H5 155.592

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