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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=

B1B95/6-31G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3142 0.5929 0.0496   0.5487 0.3863 0.0496
C2 -0.3142 -0.5929 0.0496   -0.5487 -0.3863 0.0496
N3 -0.3142 1.8378 -0.0738   1.8627 -0.0809 -0.0738
N4 0.3142 -1.8378 -0.0738   -1.8627 0.0809 -0.0738
H5 1.3995 0.6361 0.0624   0.4552 1.4684 0.0624
H6 -1.3995 -0.6361 0.0624   -0.4552 -1.4684 0.0624
H7 -1.3007 1.8697 -0.2578   2.0183 -1.0555 -0.2578
H8 1.3007 -1.8697 -0.2578   -2.0183 1.0555 -0.2578
H9 0.0671 2.6273 0.4144   2.5981 0.3967 0.4144
H10 -0.0671 -2.6273 0.4144   -2.5981 -0.3967 0.4144
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3421 1.4000 2.4338 1.0862 2.1090 2.0815 2.6706 2.0815 3.2632
C2 1.3421 2.4338 1.4000 2.1090 1.0862 2.6706 2.0815 3.2632 2.0815
N3 1.4000 2.4338 3.7289 2.0975 2.7049 1.0040 4.0481 1.0035 4.4985
N4 2.4338 1.4000 3.7289 2.7049 2.0975 4.0481 1.0040 4.4985 1.0035
H5 1.0862 2.1090 2.0975 2.7049 3.0746 2.9859 2.5281 2.4216 3.5951
H6 2.1090 1.0862 2.7049 2.0975 3.0746 2.5281 2.9859 3.5951 2.4216
H7 2.0815 2.6706 1.0040 4.0481 2.9859 2.5281 4.5553 1.7020 4.7113
H8 2.6706 2.0815 4.0481 1.0040 2.5281 2.9859 4.5553 4.7113 1.7020
H9 2.0815 3.2632 1.0035 4.4985 2.4216 3.5951 1.7020 4.7113 5.2563
H10 3.2632 2.0815 4.4985 1.0035 3.5951 2.4216 4.7113 1.7020 5.2563
Maximum atom distance is 5.2563Å 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 125.131 C2 C1 N3 125.131
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.200 C1 N3 H7 119.045
C1 N3 H9 119.084 C2 C1 H5 120.200
C2 N4 H8 119.045 C2 N4 H10 119.084
N3 C1 H5 114.470 N4 C2 H6 114.470
H7 N3 H9 115.949 H8 N4 H10 115.949

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