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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/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0399 0.9691 0.0000   0.0028 -0.0398 0.9691
C2 -0.0399 -0.5082 0.6473   0.6485 0.0063 -0.5082
C3 -0.0399 -0.5082 -0.6473   -0.6428 -0.0858 -0.5082
H4 0.9954 1.2295 0.0000   -0.0708 0.9928 1.2295
H5 -0.1189 -0.9573 1.6256   1.6300 -0.0030 -0.9573
H6 -0.1189 -0.9573 -1.6256   -1.6130 -0.2343 -0.9573
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.6128 1.6128 1.0675 2.5219 2.5219
C2 1.6128 1.2945 2.1237 1.0794 2.3182
C3 1.6128 1.2945 2.1237 2.3182 1.0794
H4 1.0675 2.1237 2.1237 2.9439 2.9439
H5 2.5219 1.0794 2.3182 2.9439 3.2512
H6 2.5219 2.3182 1.0794 2.9439 3.2512
Maximum atom distance is 3.2512Å 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 66.339 N1 C3 C2 66.339
C2 N1 C3 47.321
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 138.146 N1 C3 H6 138.146
C2 N1 H4 102.911 C2 C3 H6 155.009
C3 N1 H4 102.911 C3 C2 H5 155.009

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