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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

mPW1PW91/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 -0.0359 0.8940 0.0000   0.0023 -0.0358 0.8940
C2 -0.0359 -0.4744 0.6354   0.6364 0.0051 -0.4744
C3 -0.0359 -0.4744 -0.6354   -0.6318 -0.0767 -0.4744
H4 0.9341 1.2219 0.0000   -0.0602 0.9322 1.2219
H5 -0.1263 -0.8934 1.6189   1.6237 -0.0218 -0.8934
H6 -0.1263 -0.8934 -1.6189   -1.6074 -0.2303 -0.8934
Atom - Atom Distances (Å)
  N1 C2 C3 H4 H5 H6
N1 1.5088 1.5088 1.0239 2.4133 2.4133
C2 1.5088 1.2708 2.0548 1.0729 2.2947
C3 1.5088 1.2708 2.0548 2.2947 1.0729
H4 1.0239 2.0548 2.0548 2.8670 2.8670
H5 2.4133 1.0729 2.2947 2.8670 3.2378
H6 2.4133 2.2947 1.0729 2.8670 3.2378
Maximum atom distance is 3.2378Å 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 65.094 N1 C3 C2 65.094
C2 N1 C3 49.812
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C2 H5 137.753 N1 C3 H6 137.753
C2 N1 H4 106.883 C2 C3 H6 156.454
C3 N1 H4 106.883 C3 C2 H5 156.454

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