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Geometry for HNCCNH (Ethenediimine) 1AG C2H

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

B3PW91/6-311G**


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2257 -0.6063 0.0000   -0.5383 0.3589 0.0000
C2 -0.2257 0.6063 0.0000   0.5383 -0.3589 0.0000
N3 0.2257 -1.8480 0.0000   -1.7467 0.6441 0.0000
N4 -0.2257 1.8480 0.0000   1.7467 -0.6441 0.0000
H5 1.1741 -2.2373 0.0000   -1.9078 1.6566 0.0000
H6 -1.1741 2.2373 0.0000   1.9078 -1.6566 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6
C1 1.2938 1.2417 2.4954 1.8867 3.1694
C2 1.2938 2.4954 1.2417 3.1694 1.8867
N3 1.2417 2.4954 3.7234 1.0252 4.3184
N4 2.4954 1.2417 3.7234 4.3184 1.0252
H5 1.8867 3.1694 1.0252 4.3184 5.0532
H6 3.1694 1.8867 4.3184 1.0252 5.0532
Maximum atom distance is 5.0532Å 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 159.585 C2 C1 N3 159.585
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 112.316 C2 N4 H6 112.316

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