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Geometry for HNCCNH (Ethenediimine) 1AG C2H

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

CCD/aug-cc-pVTZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.2322 -0.6062 0.0000   -0.5422 0.3570 0.0000
C2 -0.2322 0.6062 0.0000   0.5422 -0.3570 0.0000
N3 0.2322 -1.8498 0.0000   -1.7567 0.6243 0.0000
N4 -0.2322 1.8498 0.0000   1.7567 -0.6243 0.0000
H5 1.1802 -2.2270 0.0000   -1.9213 1.6313 0.0000
H6 -1.1802 2.2270 0.0000   1.9213 -1.6313 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6
C1 1.2983 1.2436 2.4996 1.8777 3.1658
C2 1.2983 2.4996 1.2436 3.1658 1.8777
N3 1.2436 2.4996 3.7287 1.0203 4.3145
N4 2.4996 1.2436 3.7287 4.3145 1.0203
H5 1.8777 3.1658 1.0203 4.3145 5.0408
H6 3.1658 1.8777 4.3145 1.0203 5.0408
Maximum atom distance is 5.0408Å 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 159.044 C2 C1 N3 159.044
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 111.694 C2 N4 H6 111.694

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