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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=

MP4/6-311G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3175 0.5952 0.0356   0.5489 0.3920 0.0356
C2 -0.3175 -0.5952 0.0356   -0.5489 -0.3920 0.0356
N3 -0.3175 1.8625 -0.1162   1.8879 -0.0732 -0.1162
N4 0.3175 -1.8625 -0.1162   -1.8879 0.0732 -0.1162
H5 1.4084 0.6381 0.0317   0.4500 1.4793 0.0317
H6 -1.4084 -0.6381 0.0317   -0.4500 -1.4793 0.0317
H7 -1.3269 1.7670 -0.0389   1.9242 -1.0864 -0.0389
H8 1.3269 -1.7670 -0.0389   -1.9242 1.0864 -0.0389
H9 -0.0113 2.5083 0.6065   2.4886 0.3142 0.6065
H10 0.0113 -2.5083 0.6065   -2.4886 -0.3142 0.6065
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3491 1.4256 2.4623 1.0918 2.1212 2.0205 2.5698 2.0234 3.1703
C2 1.3491 2.4623 1.4256 2.1212 1.0918 2.5698 2.0205 3.1703 2.0234
N3 1.4256 2.4623 3.7787 2.1213 2.7322 1.0168 3.9853 1.0164 4.4423
N4 2.4623 1.4256 3.7787 2.7322 2.1213 3.9853 1.0168 4.4423 1.0164
H5 1.0918 2.1212 2.1213 2.7322 3.0924 2.9599 2.4074 2.4174 3.4903
H6 2.1212 1.0918 2.7322 2.1213 3.0924 2.4074 2.9599 3.4903 2.4174
H7 2.0205 2.5698 1.0168 3.9853 2.9599 2.4074 4.4194 1.6422 4.5260
H8 2.5698 2.0205 3.9853 1.0168 2.4074 2.9599 4.4194 4.5260 1.6422
H9 2.0234 3.1703 1.0164 4.4423 2.4174 3.4903 1.6422 4.5260 5.0167
H10 3.1703 2.0234 4.4423 1.0164 3.4903 2.4174 4.5260 1.6422 5.0167
Maximum atom distance is 5.0167Å 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 125.081 C2 C1 N3 125.081
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.329 C1 N3 H7 110.520
C1 N3 H9 110.791 C2 C1 H5 120.329
C2 N4 H8 110.520 C2 N4 H10 110.791
N3 C1 H5 114.187 N4 C2 H6 114.187
H7 N3 H9 107.738 H8 N4 H10 107.738

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