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Geometry for HNCCNH (Ethenediimine) 1AG C2H

1910171554
InChI=1S/C2H2N2/c3-1-2-4/h3-4H INChIKey=RUTRGUOJQDNDCQ-UHFFFAOYSA-N

HF/6-31G(2df,p)


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1095 -0.6264 0.0000   -0.6345 0.0432 0.0000
C2 -0.1095 0.6264 0.0000   0.6345 -0.0432 0.0000
N3 0.1095 -1.8499 0.0000   -1.8512 -0.0852 0.0000
N4 -0.1095 1.8499 0.0000   1.8512 0.0852 0.0000
H5 1.0401 -2.2366 0.0000   -2.3334 0.7997 0.0000
H6 -1.0401 2.2366 0.0000   2.3334 -0.7997 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6
C1 1.2719 1.2235 2.4861 1.8598 3.0852
C2 1.2719 2.4861 1.2235 3.0852 1.8598
N3 1.2235 2.4861 3.7064 1.0078 4.2452
N4 2.4861 1.2235 3.7064 4.2452 1.0078
H5 1.8598 3.0852 1.0078 4.2452 4.9333
H6 3.0852 1.8598 4.2452 1.0078 4.9333
Maximum atom distance is 4.9333Å between atoms H5 and H6.
picture of Ethenediimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 170.086 C2 C1 N3 170.086
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 112.563 C2 N4 H6 112.563

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