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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/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3123 0.5809 0.0246   0.6165 0.2344 0.0246
C2 -0.3123 -0.5809 0.0246   -0.6165 -0.2344 0.0246
N3 -0.3123 1.8465 -0.0741   1.7904 -0.5489 -0.0741
N4 0.3123 -1.8465 -0.0741   -1.7904 0.5489 -0.0741
H5 1.3862 0.6196 0.0322   0.7940 1.2942 0.0322
H6 -1.3862 -0.6196 0.0322   -0.7940 -1.2942 0.0322
H7 -1.3022 1.8531 -0.2158   1.6687 -1.5313 -0.2158
H8 1.3022 -1.8531 -0.2158   -1.6687 1.5313 -0.2158
H9 0.0129 2.5535 0.5545   2.5336 -0.3181 0.5545
H10 -0.0129 -2.5535 0.5545   -2.5336 0.3181 0.5545
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3190 1.4148 2.4294 1.0746 2.0799 2.0695 2.6386 2.0643 3.1954
C2 1.3190 2.4294 1.4148 2.0799 1.0746 2.6386 2.0695 3.1954 2.0643
N3 1.4148 2.4294 3.7454 2.0979 2.6919 1.0000 4.0390 1.0003 4.4547
N4 2.4294 1.4148 3.7454 2.6919 2.0979 4.0390 1.0000 4.4547 1.0003
H5 1.0746 2.0799 2.0979 2.6919 3.0368 2.9682 2.4866 2.4287 3.5070
H6 2.0799 1.0746 2.6919 2.0979 3.0368 2.4866 2.9682 3.5070 2.4287
H7 2.0695 2.6386 1.0000 4.0390 2.9682 2.4866 4.5298 1.6773 4.6555
H8 2.6386 2.0695 4.0390 1.0000 2.4866 2.9682 4.5298 4.6555 1.6773
H9 2.0643 3.1954 1.0003 4.4547 2.4287 3.5070 1.6773 4.6555 5.1070
H10 3.1954 2.0643 4.4547 1.0003 3.5070 2.4287 4.6555 1.6773 5.1070
Maximum atom distance is 5.1070Å 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 125.372 C2 C1 N3 125.372
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.327 C1 N3 H7 116.926
C1 N3 H9 116.416 C2 C1 H5 120.327
C2 N4 H8 116.926 C2 N4 H10 116.416
N3 C1 H5 114.168 N4 C2 H6 114.168
H7 N3 H9 113.966 H8 N4 H10 113.966

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