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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=

MP2=FULL/6-311+G(3df,2p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3141 0.5894 0.0360   0.6254 0.2345 0.0360
C2 -0.3141 -0.5894 0.0360   -0.6254 -0.2345 0.0360
N3 -0.3141 1.8405 -0.1076   1.7838 -0.5518 -0.1076
N4 0.3141 -1.8405 -0.1076   -1.7838 0.5518 -0.1076
H5 1.3969 0.6283 0.0372   0.8053 1.3029 0.0372
H6 -1.3969 -0.6283 0.0372   -0.8053 -1.3029 0.0372
H7 -1.3213 1.7799 -0.0657   1.5922 -1.5424 -0.0657
H8 1.3213 -1.7799 -0.0657   -1.5922 1.5424 -0.0657
H9 0.0069 2.5206 0.5656   2.4999 -0.3223 0.5656
H10 -0.0069 -2.5206 0.5656   -2.4999 0.3223 0.5656
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3358 1.4073 2.4342 1.0835 2.1001 2.0254 2.5765 2.0259 3.1711
C2 1.3358 2.4342 1.4073 2.1001 1.0835 2.5765 2.0254 3.1711 2.0259
N3 1.4073 2.4342 3.7343 2.1019 2.6998 1.0098 3.9729 1.0093 4.4235
N4 2.4342 1.4073 3.7343 2.6998 2.1019 3.9729 1.0098 4.4235 1.0093
H5 1.0835 2.1001 2.1019 2.6998 3.0634 2.9539 2.4116 2.4066 3.4879
H6 2.1001 1.0835 2.6998 2.1019 3.0634 2.4116 2.9539 3.4879 2.4066
H7 2.0254 2.5765 1.0098 3.9729 2.9539 2.4116 4.4335 1.6466 4.5410
H8 2.5765 2.0254 3.9729 1.0098 2.4116 2.9539 4.4335 4.5410 1.6466
H9 2.0259 3.1711 1.0093 4.4235 2.4066 3.4879 1.6466 4.5410 5.0412
H10 3.1711 2.0259 4.4235 1.0093 3.4879 2.4066 4.5410 1.6466 5.0412
Maximum atom distance is 5.0412Å 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 125.072 C2 C1 N3 125.072
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.110 C1 N3 H7 112.806
C1 N3 H9 112.888 C2 C1 H5 120.110
C2 N4 H8 112.806 C2 N4 H10 112.888
N3 C1 H5 114.477 N4 C2 H6 114.477
H7 N3 H9 109.269 H8 N4 H10 109.269

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