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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/cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3112 0.5898 0.0359   0.5454 0.3837 0.0359
C2 -0.3112 -0.5898 0.0359   -0.5454 -0.3837 0.0359
N3 -0.3112 1.8502 -0.1090   1.8747 -0.0732 -0.1090
N4 0.3112 -1.8502 -0.1090   -1.8747 0.0732 -0.1090
H5 1.3958 0.6333 0.0393   0.4505 1.4651 0.0393
H6 -1.3958 -0.6333 0.0393   -0.4505 -1.4651 0.0393
H7 -1.3195 1.7958 -0.0534   1.9491 -1.0802 -0.0534
H8 1.3195 -1.7958 -0.0534   -1.9491 1.0802 -0.0534
H9 0.0214 2.5304 0.5617   2.5071 0.3432 0.5617
H10 -0.0214 -2.5304 0.5617   -2.5071 -0.3432 0.5617
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3338 1.4131 2.4443 1.0855 2.1000 2.0301 2.5915 2.0313 3.1816
C2 1.3338 2.4443 1.4131 2.1000 1.0855 2.5915 2.0301 3.1816 2.0313
N3 1.4131 2.4443 3.7523 2.1016 2.7140 1.0112 3.9944 1.0115 4.4410
N4 2.4443 1.4131 3.7523 2.7140 2.1016 3.9944 1.0112 4.4410 1.0115
H5 1.0855 2.1000 2.1016 2.7140 3.0655 2.9551 2.4321 2.4002 3.5057
H6 2.1000 1.0855 2.7140 2.1016 3.0655 2.4321 2.9551 3.5057 2.4002
H7 2.0301 2.5915 1.0112 3.9944 2.9551 2.4321 4.4569 1.6480 4.5584
H8 2.5915 2.0301 3.9944 1.0112 2.4321 2.9551 4.4569 4.5584 1.6480
H9 2.0313 3.1816 1.0115 4.4410 2.4002 3.5057 1.6480 4.5584 5.0609
H10 3.1816 2.0313 4.4410 1.0115 3.5057 2.4002 4.5584 1.6480 5.0609
Maximum atom distance is 5.0609Å 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 125.683 C2 C1 N3 125.683
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.109 C1 N3 H7 112.680
C1 N3 H9 112.768 C2 C1 H5 120.109
C2 N4 H8 112.680 C2 N4 H10 112.768
N3 C1 H5 113.876 N4 C2 H6 113.876
H7 N3 H9 109.118 H8 N4 H10 109.118

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