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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

B3PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0360 0.8958 0.0000   0.0025 -0.0359 0.8958
C2 -0.0360 -0.4758 0.6384   0.6394 0.0086 -0.4758
C3 -0.0360 -0.4758 -0.6384   -0.6344 -0.0805 -0.4758
H4 0.9397 1.2305 0.0000   -0.0656 0.9375 1.2305
H5 -0.1277 -0.8957 1.6263   1.6313 -0.0139 -0.8957
H6 -0.1277 -0.8957 -1.6263   -1.6134 -0.2408 -0.8957
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5130 1.5130 1.0316 2.4213 2.4213
C2 1.5130 1.2769 2.0667 1.0773 2.3052
C3 1.5130 1.2769 2.0667 2.3052 1.0773
H4 1.0316 2.0667 2.0667 2.8818 2.8818
H5 2.4213 1.0773 2.3052 2.8818 3.2526
H6 2.4213 2.3052 1.0773 2.8818 3.2526
Maximum atom distance is 3.2526Å 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 65.040 N1 C3 C2 65.040
C2 N1 C3 49.920
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.755 N1 C3 H6 137.755
C2 N1 H4 107.107 C2 C3 H6 156.490
C3 N1 H4 107.107 C3 C2 H5 156.490

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