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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

CCSD=FULL/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0360 0.9061 0.0000   0.9013 0.0000 -0.1001
C2 -0.0360 -0.4803 0.6474   -0.4817 0.6474 -0.0019
C3 -0.0360 -0.4803 -0.6474   -0.4817 -0.6474 -0.0019
H4 0.9405 1.2363 0.0000   1.2998 0.0000 0.8505
H5 -0.1286 -0.9074 1.6388   -0.9142 1.6388 -0.0640
H6 -0.1286 -0.9074 -1.6388   -0.9142 -1.6388 -0.0640
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5301 1.5301 1.0308 2.4460 2.4460
C2 1.5301 1.2948 2.0784 1.0834 2.3276
C3 1.5301 1.2948 2.0784 2.3276 1.0834
H4 1.0308 2.0784 2.0784 2.9024 2.9024
H5 2.4460 1.0834 2.3276 2.9024 3.2775
H6 2.4460 2.3276 1.0834 2.9024 3.2775
Maximum atom distance is 3.2775Å 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 64.969 N1 C3 C2 64.969
C2 N1 C3 50.062
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 138.099 N1 C3 H6 138.099
C2 N1 H4 106.876 C2 C3 H6 156.214
C3 N1 H4 106.876 C3 C2 H5 156.214

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