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Geometry for CHNCH2 (2H-Azirine) 1A' CS

1910171554
InChI=1S/C2H3N/c1-2-3-1/h1H,2H2 INChIKey=NTJMGOWFGQXUDY-UHFFFAOYSA-N

MP2/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.9154 -0.1779 0.0000   0.6168 0.6995 0.0000
C2 0.0000 0.7902 0.0000   0.4821 -0.6261 0.0000
C3 0.7052 -0.5639 0.0000   -0.9028 0.0165 0.0000
H4 0.0413 1.8824 0.0000   1.1157 -1.5167 0.0000
H5 1.0677 -0.9975 0.9425   -1.4546 0.1390 0.9425
H6 1.0677 -0.9975 -0.9425   -1.4546 0.1390 -0.9425
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.3324 1.6660 2.2716 2.3437 2.3437
C2 1.3324 1.5268 1.0929 2.2857 2.2857
C3 1.6660 1.5268 2.5348 1.0989 1.0989
H4 2.2716 1.0929 2.5348 3.1993 3.1993
H5 2.3437 2.2857 1.0989 3.1993 1.8849
H6 2.3437 2.2857 1.0989 3.1993 1.8849
Maximum atom distance is 3.1993Å between atoms H4 and H5.
picture of 2H-Azirine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 C3 70.907 N1 C3 C2 49.093
C2 N1 C3 60.000 C2 C3 N1 49.093
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H4 138.769 N1 C3 H5 114.349
N1 C3 H6 114.349 C2 C3 H5 120.153
C2 C3 H6 120.153 C3 C2 H4 150.324
H5 C3 H6 118.102

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