return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for HNCCNH (Ethenediimine) 1AG C2H

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

AM1


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0082 -0.6455 0.0000   -0.6448 -0.0330 0.0000
C2 0.0082 0.6455 0.0000   0.6448 0.0330 0.0000
N3 0.0082 -1.8842 0.0000   -1.8831 -0.0643 0.0000
N4 -0.0082 1.8842 0.0000   1.8831 0.0643 0.0000
H5 0.9092 -2.3303 0.0000   -2.3635 0.8189 0.0000
H6 -0.9092 2.3303 0.0000   2.3635 -0.8189 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6
C1 1.2912 1.2388 2.5298 1.9183 3.1093
C2 1.2912 2.5298 1.2388 3.1093 1.9183
N3 1.2388 2.5298 3.7685 1.0054 4.3132
N4 2.5298 1.2388 3.7685 4.3132 1.0054
H5 1.9183 3.1093 1.0054 4.3132 5.0028
H6 3.1093 1.9183 4.3132 1.0054 5.0028
Maximum atom distance is 5.0028Å 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 178.518 C2 C1 N3 178.518
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 117.093 C2 N4 H6 117.093

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