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Geometry for HNCCNH (Ethenediimine) 1AG C2H

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

B97D3/aug-cc-pVQZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2887 -0.5878 0.0000   -0.5124 0.4078 0.0000
C2 -0.2887 0.5878 0.0000   0.5124 -0.4078 0.0000
N3 0.2887 -1.8353 0.0000   -1.7311 0.6747 0.0000
N4 -0.2887 1.8353 0.0000   1.7311 -0.6747 0.0000
H5 1.2343 -2.2360 0.0000   -1.9202 1.6840 0.0000
H6 -1.2343 2.2360 0.0000   1.9202 -1.6840 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6
C1 1.3098 1.2475 2.4910 1.9001 3.2083
C2 1.3098 2.4910 1.2475 3.2083 1.9001
N3 1.2475 2.4910 3.7158 1.0269 4.3469
N4 2.4910 1.2475 3.7158 4.3469 1.0269
H5 1.9001 3.2083 1.0269 4.3469 5.1080
H6 3.2083 1.9001 4.3469 1.0269 5.1080
Maximum atom distance is 5.1080Å 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 153.837 C2 C1 N3 153.837
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 112.961 C2 N4 H6 112.961

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