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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/daug-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 0.0172   0.6159 0.2323 0.0172
C2 -0.3099 -0.5808 0.0172   -0.6159 -0.2323 0.0172
N3 -0.3099 1.8415 -0.0928   1.7861 -0.5450 -0.0928
N4 0.3099 -1.8415 -0.0928   -1.7861 0.5450 -0.0928
H5 1.3853 0.6212 0.0189   0.7948 1.2936 0.0189
H6 -1.3853 -0.6212 0.0189   -0.7948 -1.2936 0.0189
H7 -1.3045 1.7931 -0.0654   1.6097 -1.5250 -0.0654
H8 1.3045 -1.7931 -0.0654   -1.6097 1.5250 -0.0654
H9 0.0109 2.4893 0.5931   2.4699 -0.3105 0.5931
H10 -0.0109 -2.4893 0.5931   -2.4699 0.3105 0.5931
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3166 1.4091 2.4248 1.0762 2.0781 2.0205 2.5751 2.0158 3.1401
C2 1.3166 2.4248 1.4091 2.0781 1.0762 2.5751 2.0205 3.1401 2.0158
N3 1.4091 2.4248 3.7349 2.0917 2.6896 0.9962 3.9771 0.9965 4.3950
N4 2.4248 1.4091 3.7349 2.6896 2.0917 3.9771 0.9962 4.3950 0.9965
H5 1.0762 2.0781 2.0917 2.6896 3.0364 2.9352 2.4171 2.3893 3.4575
H6 2.0781 1.0762 2.6896 2.0917 3.0364 2.4171 2.9352 3.4575 2.3893
H7 2.0205 2.5751 0.9962 3.9771 2.9352 2.4171 4.4348 1.6275 4.5217
H8 2.5751 2.0205 3.9771 0.9962 2.4171 2.9352 4.4348 4.5217 1.6275
H9 2.0158 3.1401 0.9965 4.3950 2.3893 3.4575 1.6275 4.5217 4.9787
H10 3.1401 2.0158 4.3950 0.9965 3.4575 2.3893 4.5217 1.6275 4.9787
Maximum atom distance is 4.9787Å 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 125.614 C2 C1 N3 125.614
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.234 C1 N3 H7 113.170
C1 N3 H9 112.726 C2 C1 H5 120.234
C2 N4 H8 113.170 C2 N4 H10 112.726
N3 C1 H5 113.956 N4 C2 H6 113.956
H7 N3 H9 109.519 H8 N4 H10 109.519

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