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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=

mPW1PW91/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3125 0.5928 0.0420   0.5483 0.3853 0.0420
C2 -0.3125 -0.5928 0.0420   -0.5483 -0.3853 0.0420
N3 -0.3125 1.8489 -0.0896   1.8736 -0.0751 -0.0896
N4 0.3125 -1.8489 -0.0896   -1.8736 0.0751 -0.0896
H5 1.3991 0.6307 0.0513   0.4479 1.4679 0.0513
H6 -1.3991 -0.6307 0.0513   -0.4479 -1.4679 0.0513
H7 -1.3224 1.8406 -0.1869   1.9937 -1.0779 -0.1869
H8 1.3224 -1.8406 -0.1869   -1.9937 1.0779 -0.1869
H9 0.0344 2.5903 0.5105   2.5649 0.3631 0.5105
H10 -0.0344 -2.5903 0.5105   -2.5649 -0.3631 0.5105
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3402 1.4092 2.4452 1.0873 2.1040 2.0694 2.6446 2.0704 3.2360
C2 1.3402 2.4452 1.4092 2.1040 1.0873 2.6446 2.0694 3.2360 2.0704
N3 1.4092 2.4452 3.7502 2.1055 2.7109 1.0146 4.0367 1.0149 4.4882
N4 2.4452 1.4092 3.7502 2.7109 2.1055 4.0367 1.0146 4.4882 1.0149
H5 1.0873 2.1040 2.1055 2.7109 3.0694 2.9878 2.4840 2.4317 3.5553
H6 2.1040 1.0873 2.7109 2.1055 3.0694 2.4840 2.9878 3.5553 2.4317
H7 2.0694 2.6446 1.0146 4.0367 2.9878 2.4840 4.5328 1.6997 4.6667
H8 2.6446 2.0694 4.0367 1.0146 2.4840 2.9878 4.5328 4.6667 1.6997
H9 2.0704 3.2360 1.0149 4.4882 2.4317 3.5553 1.6997 4.6667 5.1810
H10 3.2360 2.0704 4.4882 1.0149 3.5553 2.4317 4.6667 1.6997 5.1810
Maximum atom distance is 5.1810Å 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 125.570 C2 C1 N3 125.570
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.796 C1 N3 H7 116.305
C1 N3 H9 116.382 C2 C1 H5 119.796
C2 N4 H8 116.305 C2 N4 H10 116.382
N3 C1 H5 114.388 N4 C2 H6 114.388
H7 N3 H9 113.757 H8 N4 H10 113.757

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