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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

B3LYP/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0354 0.9437 0.0000   0.0025 -0.0353 0.9437
C2 -0.0354 -0.5015 0.6505   0.6514 0.0102 -0.5015
C3 -0.0354 -0.5015 -0.6505   -0.6464 -0.0808 -0.5015
H4 0.9529 1.2793 0.0000   -0.0667 0.9506 1.2793
H5 -0.1405 -0.9338 1.6307   1.6365 -0.0261 -0.9338
H6 -0.1405 -0.9338 -1.6307   -1.6169 -0.2543 -0.9338
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5849 1.5849 1.0437 2.4891 2.4891
C2 1.5849 1.3010 2.1380 1.0765 2.3242
C3 1.5849 1.3010 2.1380 2.3242 1.0765
H4 1.0437 2.1380 2.1380 2.9585 2.9585
H5 2.4891 1.0765 2.3242 2.9585 3.2614
H6 2.4891 2.3242 1.0765 2.9585 3.2614
Maximum atom distance is 3.2614Å 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 65.767 N1 C3 C2 65.767
C2 N1 C3 48.465
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.730 N1 C3 H6 137.730
C2 N1 H4 107.049 C2 C3 H6 155.585
C3 N1 H4 107.049 C3 C2 H5 155.585

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