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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

CBS-Q


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0356 0.8901 0.0000   0.8854 0.0000 -0.0979
C2 -0.0356 -0.4739 0.6272   -0.4753 0.6272 -0.0023
C3 -0.0356 -0.4739 -0.6272   -0.4753 -0.6272 -0.0023
H4 0.9113 1.2321 0.0000   1.2929 0.0000 0.8227
H5 -0.1174 -0.8879 1.6075   -0.8939 1.6075 -0.0549
H6 -0.1174 -0.8879 -1.6075   -0.8939 -1.6075 -0.0549
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5013 1.5013 1.0068 2.3983 2.3983
C2 1.5013 1.2544 2.0495 1.0672 2.2741
C3 1.5013 1.2544 2.0495 2.2741 1.0672
H4 1.0068 2.0495 2.0495 2.8524 2.8524
H5 2.3983 1.0672 2.2741 2.8524 3.2149
H6 2.3983 2.2741 1.0672 2.8524 3.2149
Maximum atom distance is 3.2149Å 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 65.308 N1 C3 C2 65.308
C2 N1 C3 49.384
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.400 N1 C3 H6 137.400
C2 N1 H4 107.977 C2 C3 H6 156.713
C3 N1 H4 107.977 C3 C2 H5 156.713

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