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Geometry for H2NCHCHNH2 (diaminoethylene) 1A C2

1910171554
InChI=1S/C2H6N2/c3-1-2-4/h1-2H,3-4H2/b2-1+ INChIKey=

B97D3/aug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3135 0.5932 0.0430   0.5484 0.3866 0.0430
C2 -0.3135 -0.5932 0.0430   -0.5484 -0.3866 0.0430
N3 -0.3135 1.8531 -0.1142   1.8780 -0.0747 -0.1142
N4 0.3135 -1.8531 -0.1142   -1.8780 0.0747 -0.1142
H5 1.4022 0.6390 0.0448   0.4550 1.4723 0.0448
H6 -1.4022 -0.6390 0.0448   -0.4550 -1.4723 0.0448
H7 -1.3245 1.7966 -0.0512   1.9508 -1.0846 -0.0512
H8 1.3245 -1.7966 -0.0512   -1.9508 1.0846 -0.0512
H9 0.0214 2.5447 0.5483   2.5212 0.3456 0.5483
H10 -0.0214 -2.5447 0.5483   -2.5212 -0.3456 0.5483
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3420 1.4161 2.4514 1.0897 2.1124 2.0347 2.5966 2.0369 3.1960
C2 1.3420 2.4514 1.4161 2.1124 1.0897 2.5966 2.0347 3.1960 2.0369
N3 1.4161 2.4514 3.7590 2.1079 2.7242 1.0144 4.0010 1.0146 4.4571
N4 2.4514 1.4161 3.7590 2.7242 2.1079 4.0010 1.0144 4.4571 1.0146
H5 1.0897 2.1124 2.1079 2.7242 3.0820 2.9638 2.4388 2.4067 3.5237
H6 2.1124 1.0897 2.7242 2.1079 3.0820 2.4388 2.9638 3.5237 2.4067
H7 2.0347 2.5966 1.0144 4.0010 2.9638 2.4388 4.4641 1.6523 4.5722
H8 2.5966 2.0347 4.0010 1.0144 2.4388 2.9638 4.4641 4.5722 1.6523
H9 2.0369 3.1960 1.0146 4.4571 2.4067 3.5237 1.6523 4.5722 5.0896
H10 3.1960 2.0369 4.4571 1.0146 3.5237 2.4067 4.5722 1.6523 5.0896
Maximum atom distance is 5.0896Å between atoms H9 and H10.
picture of diaminoethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N4 125.427 C2 C1 N3 125.427
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.267 C1 N3 H7 112.633
C1 N3 H9 112.816 C2 C1 H5 120.267
C2 N4 H8 112.633 C2 N4 H10 112.816
N3 C1 H5 113.906 N4 C2 H6 113.906
H7 N3 H9 109.047 H8 N4 H10 109.047

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