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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

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0355 0.9006 0.0000   0.0025 -0.0354 0.9006
C2 -0.0355 -0.4784 0.6419   0.6428 0.0090 -0.4784
C3 -0.0355 -0.4784 -0.6419   -0.6379 -0.0799 -0.4784
H4 0.9418 1.2342 0.0000   -0.0652 0.9395 1.2342
H5 -0.1333 -0.8991 1.6294   1.6347 -0.0202 -0.8991
H6 -0.1333 -0.8991 -1.6294   -1.6162 -0.2459 -0.8991
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5211 1.5211 1.0327 2.4297 2.4297
C2 1.5211 1.2838 2.0736 1.0779 2.3120
C3 1.5211 1.2838 2.0736 2.3120 1.0779
H4 1.0327 2.0736 2.0736 2.8917 2.8917
H5 2.4297 1.0779 2.3120 2.8917 3.2588
H6 2.4297 2.3120 1.0779 2.8917 3.2588
Maximum atom distance is 3.2588Å 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 65.039 N1 C3 C2 65.039
C2 N1 C3 49.922
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.776 N1 C3 H6 137.776
C2 N1 H4 107.026 C2 C3 H6 156.374
C3 N1 H4 107.026 C3 C2 H5 156.374

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