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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

B3PW91/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.8856 -0.1973 0.0000   -0.5791 -0.6985 0.0000
C2 0.0000 0.7737 0.0000   -0.4740 0.6115 0.0000
C3 0.6627 -0.5368 0.0000   0.8526 -0.0183 0.0000
H4 0.0635 1.8686 0.0000   -1.0946 1.5158 0.0000
H5 1.0797 -0.9546 0.9289   1.4382 -0.0931 0.9289
H6 1.0797 -0.9546 -0.9289   1.4382 -0.0931 -0.9289
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.3142 1.5851 2.2735 2.3019 2.3019
C2 1.3142 1.4685 1.0968 2.2395 2.2395
C3 1.5851 1.4685 2.4789 1.1006 1.1006
H4 2.2735 1.0968 2.4789 3.1410 3.1410
H5 2.3019 2.2395 1.1006 3.1410 1.8577
H6 2.3019 2.2395 1.1006 3.1410 1.8577
Maximum atom distance is 3.1410Å 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 69.192 N1 C3 C2 50.808
C2 N1 C3 60.000 C2 C3 N1 50.808
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H4 140.951 N1 C3 H5 116.834
N1 C3 H6 116.834 C2 C3 H5 120.649
C2 C3 H6 120.649 C3 C2 H4 149.857
H5 C3 H6 115.126

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