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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

PBEPBE/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0366 0.9045 0.0000   0.0026 -0.0365 0.9045
C2 -0.0366 -0.4793 0.6404   0.6413 0.0095 -0.4793
C3 -0.0366 -0.4793 -0.6404   -0.6361 -0.0825 -0.4793
H4 0.9444 1.2337 0.0000   -0.0678 0.9419 1.2337
H5 -0.1244 -0.9064 1.6292   1.6339 -0.0071 -0.9064
H6 -0.1244 -0.9064 -1.6292   -1.6160 -0.2411 -0.9064
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5248 1.5248 1.0348 2.4375 2.4375
C2 1.5248 1.2807 2.0753 1.0807 2.3110
C3 1.5248 1.2807 2.0753 2.3110 1.0807
H4 1.0348 2.0753 2.0753 2.8943 2.8943
H5 2.4375 1.0807 2.3110 2.8943 3.2584
H6 2.4375 2.3110 1.0807 2.8943 3.2584
Maximum atom distance is 3.2584Å 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 65.167 N1 C3 C2 65.167
C2 N1 C3 49.665
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.980 N1 C3 H6 137.980
C2 N1 H4 106.785 C2 C3 H6 156.206
C3 N1 H4 106.785 C3 C2 H5 156.206

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