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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=

HF/aug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3099 0.5808 0.0171   0.5361 0.3820 0.0171
C2 -0.3099 -0.5808 0.0171   -0.5361 -0.3820 0.0171
N3 -0.3099 1.8416 -0.0928   1.8661 -0.0703 -0.0928
N4 0.3099 -1.8416 -0.0928   -1.8661 0.0703 -0.0928
H5 1.3853 0.6212 0.0188   0.4378 1.4537 0.0188
H6 -1.3853 -0.6212 0.0188   -0.4378 -1.4537 0.0188
H7 -1.3045 1.7931 -0.0655   1.9461 -1.0629 -0.0655
H8 1.3045 -1.7931 -0.0655   -1.9461 1.0629 -0.0655
H9 0.0108 2.4892 0.5934   2.4671 0.3310 0.5934
H10 -0.0108 -2.4892 0.5934   -2.4671 -0.3310 0.5934
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3166 1.4092 2.4249 1.0762 2.0781 2.0206 2.5752 2.0158 3.1400
C2 1.3166 2.4249 1.4092 2.0781 1.0762 2.5752 2.0206 3.1400 2.0158
N3 1.4092 2.4249 3.7349 2.0917 2.6897 0.9962 3.9772 0.9965 4.3950
N4 2.4249 1.4092 3.7349 2.6897 2.0917 3.9772 0.9962 4.3950 0.9965
H5 1.0762 2.0781 2.0917 2.6897 3.0364 2.9352 2.4172 2.3892 3.4574
H6 2.0781 1.0762 2.6897 2.0917 3.0364 2.4172 2.9352 3.4574 2.3892
H7 2.0206 2.5752 0.9962 3.9772 2.9352 2.4172 4.4348 1.6275 4.5217
H8 2.5752 2.0206 3.9772 0.9962 2.4172 2.9352 4.4348 4.5217 1.6275
H9 2.0158 3.1400 0.9965 4.3950 2.3892 3.4574 1.6275 4.5217 4.9784
H10 3.1400 2.0158 4.3950 0.9965 3.4574 2.3892 4.5217 1.6275 4.9784
Maximum atom distance is 4.9784Å 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 125.616 C2 C1 N3 125.616
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.235 C1 N3 H7 113.168
C1 N3 H9 112.719 C2 C1 H5 120.235
C2 N4 H8 113.168 C2 N4 H10 112.719
N3 C1 H5 113.953 N4 C2 H6 113.953
H7 N3 H9 109.516 H8 N4 H10 109.516

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