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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=

B3LYPultrafine/6-31G(2df,p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3111 0.5910 0.0338   0.5466 0.3837 0.0338
C2 -0.3111 -0.5910 0.0338   -0.5466 -0.3837 0.0338
N3 -0.3111 1.8529 -0.1108   1.8775 -0.0731 -0.1108
N4 0.3111 -1.8529 -0.1108   -1.8775 0.0731 -0.1108
H5 1.3989 0.6373 0.0373   0.4543 1.4686 0.0373
H6 -1.3989 -0.6373 0.0373   -0.4543 -1.4686 0.0373
H7 -1.3207 1.7894 -0.0407   1.9428 -1.0825 -0.0407
H8 1.3207 -1.7894 -0.0407   -1.9428 1.0825 -0.0407
H9 0.0168 2.5236 0.5760   2.5010 0.3375 0.5760
H10 -0.0168 -2.5236 0.5760   -2.5010 -0.3375 0.5760
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3357 1.4145 2.4482 1.0888 2.1055 2.0261 2.5867 2.0287 3.1783
C2 1.3357 2.4482 1.4145 2.1055 1.0888 2.5867 2.0261 3.1783 2.0287
N3 1.4145 2.4482 3.7578 2.1033 2.7215 1.0140 3.9919 1.0144 4.4398
N4 2.4482 1.4145 3.7578 2.7215 2.1033 3.9919 1.0140 4.4398 1.0144
H5 1.0888 2.1055 2.1033 2.7215 3.0745 2.9546 2.4293 2.3996 3.5051
H6 2.1055 1.0888 2.7215 2.1033 3.0745 2.4293 2.9546 3.5051 2.3996
H7 2.0261 2.5867 1.0140 3.9919 2.9546 2.4293 4.4481 1.6457 4.5478
H8 2.5867 2.0261 3.9919 1.0140 2.4293 2.9546 4.4481 4.5478 1.6457
H9 2.0287 3.1783 1.0144 4.4398 2.3996 3.5051 1.6457 4.5478 5.0473
H10 3.1783 2.0287 4.4398 1.0144 3.5051 2.3996 4.5478 1.6457 5.0473
Maximum atom distance is 5.0473Å 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 125.768 C2 C1 N3 125.768
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.209 C1 N3 H7 112.029
C1 N3 H9 112.233 C2 C1 H5 120.209
C2 N4 H8 112.029 C2 N4 H10 112.233
N3 C1 H5 113.694 N4 C2 H6 113.694
H7 N3 H9 108.452 H8 N4 H10 108.452

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