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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

MP2/CEP-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0351 0.9128 0.0000   0.9079 0.0000 -0.1003
C2 -0.0351 -0.4852 0.6598   -0.4864 0.6598 -0.0003
C3 -0.0351 -0.4852 -0.6598   -0.4864 -0.6598 -0.0003
H4 0.9529 1.2216 0.0000   1.2866 0.0000 0.8631
H5 -0.1433 -0.8945 1.6607   -0.9024 1.6607 -0.0790
H6 -0.1433 -0.8945 -1.6607   -0.9024 -1.6607 -0.0790
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5458 1.5458 1.0351 2.4568 2.4568
C2 1.5458 1.3196 2.0796 1.0867 2.3588
C3 1.5458 1.3196 2.0796 2.3588 1.0867
H4 1.0351 2.0796 2.0796 2.9047 2.9047
H5 2.4568 1.0867 2.3588 2.9047 3.3214
H6 2.4568 2.3588 1.0867 2.9047 3.3214
Maximum atom distance is 3.3214Å 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 64.734 N1 C3 C2 64.734
C2 N1 C3 50.532
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.198 N1 C3 H6 137.198
C2 N1 H4 105.651 C2 C3 H6 157.071
C3 N1 H4 105.651 C3 C2 H5 157.071

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