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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=

B3PW91/cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3108 0.5901 0.0354   0.6248 0.2333 0.0354
C2 -0.3108 -0.5901 0.0354   -0.6248 -0.2333 0.0354
N3 -0.3108 1.8453 -0.1091   1.7909 -0.5427 -0.1091
N4 0.3108 -1.8453 -0.1091   -1.7909 0.5427 -0.1091
H5 1.3968 0.6323 0.0374   0.8046 1.3052 0.0374
H6 -1.3968 -0.6323 0.0374   -0.8046 -1.3052 0.0374
H7 -1.3180 1.7884 -0.0458   1.6065 -1.5345 -0.0458
H8 1.3180 -1.7884 -0.0458   -1.6065 1.5345 -0.0458
H9 0.0243 2.5254 0.5597   2.5080 -0.2967 0.5597
H10 -0.0243 -2.5254 0.5597   -2.5080 0.2967 0.5597
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3338 1.4082 2.4397 1.0869 2.1000 2.0237 2.5842 2.0254 3.1770
C2 1.3338 2.4397 1.4082 2.1000 1.0869 2.5842 2.0237 3.1770 2.0254
N3 1.4082 2.4397 3.7426 2.0998 2.7091 1.0107 3.9826 1.0110 4.4309
N4 2.4397 1.4082 3.7426 2.7091 2.0998 3.9826 1.0107 4.4309 1.0110
H5 1.0869 2.1000 2.0998 2.7091 3.0665 2.9519 2.4234 2.3959 3.5019
H6 2.1000 1.0869 2.7091 2.0998 3.0665 2.4234 2.9519 3.5019 2.3959
H7 2.0237 2.5842 1.0107 3.9826 2.9519 2.4234 4.4432 1.6466 4.5441
H8 2.5842 2.0237 3.9826 1.0107 2.4234 2.9519 4.4432 4.5441 1.6466
H9 2.0254 3.1770 1.0110 4.4309 2.3959 3.5019 1.6466 4.5441 5.0510
H10 3.1770 2.0254 4.4309 1.0110 3.5019 2.3959 4.5441 1.6466 5.0510
Maximum atom distance is 5.0510Å 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 125.660 C2 C1 N3 125.660
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.003 C1 N3 H7 112.534
C1 N3 H9 112.667 C2 C1 H5 120.003
C2 N4 H8 112.534 C2 N4 H10 112.667
N3 C1 H5 113.995 N4 C2 H6 113.995
H7 N3 H9 109.069 H8 N4 H10 109.069

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