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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=

B3PW91/3-21G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3127 0.5942 0.0426   0.5498 0.3855 0.0426
C2 -0.3127 -0.5942 0.0426   -0.5498 -0.3855 0.0426
N3 -0.3127 1.8524 -0.0909   1.8771 -0.0755 -0.0909
N4 0.3127 -1.8524 -0.0909   -1.8771 0.0755 -0.0909
H5 1.4009 0.6330 0.0516   0.4504 1.4698 0.0516
H6 -1.4009 -0.6330 0.0516   -0.4504 -1.4698 0.0516
H7 -1.3253 1.8434 -0.1795   1.9965 -1.0810 -0.1795
H8 1.3253 -1.8434 -0.1795   -1.9965 1.0810 -0.1795
H9 0.0377 2.5953 0.5084   2.5696 0.3663 0.5084
H10 -0.0377 -2.5953 0.5084   -2.5696 -0.3663 0.5084
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3430 1.4114 2.4502 1.0889 2.1078 2.0719 2.6489 2.0729 3.2423
C2 1.3430 2.4502 1.4114 2.1078 1.0889 2.6489 2.0719 3.2423 2.0729
N3 1.4114 2.4502 3.7572 2.1080 2.7169 1.0165 4.0435 1.0168 4.4963
N4 2.4502 1.4114 3.7572 2.7169 2.1080 4.0435 1.0165 4.4963 1.0168
H5 1.0889 2.1078 2.1080 2.7169 3.0745 2.9917 2.4883 2.4326 3.5637
H6 2.1078 1.0889 2.7169 2.1080 3.0745 2.4883 2.9917 3.5637 2.4326
H7 2.0719 2.6489 1.0165 4.0435 2.9917 2.4883 4.5407 1.7019 4.6726
H8 2.6489 2.0719 4.0435 1.0165 2.4883 2.9917 4.5407 4.6726 1.7019
H9 2.0729 3.2423 1.0168 4.4963 2.4326 3.5637 1.7019 4.6726 5.1911
H10 3.2423 2.0729 4.4963 1.0168 3.5637 2.4326 4.6726 1.7019 5.1911
Maximum atom distance is 5.1911Å 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 125.628 C2 C1 N3 125.628
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.795 C1 N3 H7 116.219
C1 N3 H9 116.282 C2 C1 H5 119.795
C2 N4 H8 116.219 C2 N4 H10 116.282
N3 C1 H5 114.321 N4 C2 H6 114.321
H7 N3 H9 113.650 H8 N4 H10 113.650

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