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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

B2PLYP=FULLultrafine/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0456 0.9391 0.0000   0.9342 0.0000 -0.1059
C2 -0.0456 -0.4877 0.6503   -0.4896 0.6503 -0.0141
C3 -0.0456 -0.4877 -0.6503   -0.4896 -0.6503 -0.0141
H4 1.0074 1.2086 0.0000   1.2709 0.0000 0.9276
H5 -0.0709 -0.9651 1.6313   -0.9677 1.6313 -0.0086
H6 -0.0709 -0.9651 -1.6313   -0.9677 -1.6313 -0.0086
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5680 1.5680 1.0869 2.5075 2.5075
C2 1.5680 1.3007 2.0997 1.0913 2.3312
C3 1.5680 1.3007 2.0997 2.3312 1.0913
H4 1.0869 2.0997 2.0997 2.9238 2.9238
H5 2.5075 1.0913 2.3312 2.9238 3.2626
H6 2.5075 2.3312 1.0913 2.9238 3.2626
Maximum atom distance is 3.2626Å 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 65.496 N1 C3 C2 65.496
C2 N1 C3 49.007
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 140.437 N1 C3 H6 140.437
C2 N1 H4 103.037 C2 C3 H6 154.017
C3 N1 H4 103.037 C3 C2 H5 154.017

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