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Geometry for HNCCNH (Ethenediimine) 1AG C2H

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

mPW1PW91/aug-cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2495 -0.6026 0.0000   -0.6392 0.1297 0.0000
C2 -0.2495 0.6026 0.0000   0.6392 -0.1297 0.0000
N3 0.2495 -1.8477 0.0000   -1.8613 -0.1084 0.0000
N4 -0.2495 1.8477 0.0000   1.8613 0.1084 0.0000
H5 1.1989 -2.2369 0.0000   -2.4249 0.7490 0.0000
H6 -1.1989 2.2369 0.0000   2.4249 -0.7490 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6
C1 1.3044 1.2451 2.5006 1.8901 3.1876
C2 1.3044 2.5006 1.2451 3.1876 1.8901
N3 1.2451 2.5006 3.7289 1.0261 4.3338
N4 2.5006 1.2451 3.7289 4.3338 1.0261
H5 1.8901 3.1876 1.0261 4.3338 5.0759
H6 3.1876 1.8901 4.3338 1.0261 5.0759
Maximum atom distance is 5.0759Å 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 157.509 C2 C1 N3 157.509
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 112.293 C2 N4 H6 112.293

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