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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=

B3LYP/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3120 0.5951 0.0339   0.6302 0.2332 0.0339
C2 -0.3120 -0.5951 0.0339   -0.6302 -0.2332 0.0339
N3 -0.3120 1.8581 -0.1141   1.8028 -0.5475 -0.1141
N4 0.3120 -1.8581 -0.1141   -1.8028 0.5475 -0.1141
H5 1.4086 0.6396 0.0382   0.8147 1.3151 0.0382
H6 -1.4086 -0.6396 0.0382   -0.8147 -1.3151 0.0382
H7 -1.3271 1.7875 -0.0348   1.6028 -1.5452 -0.0348
H8 1.3271 -1.7875 -0.0348   -1.6028 1.5452 -0.0348
H9 0.0088 2.5231 0.5920   2.5034 -0.3145 0.5920
H10 -0.0088 -2.5231 0.5920   -2.5034 0.3145 0.5920
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3439 1.4165 2.4577 1.0974 2.1178 2.0282 2.5908 2.0299 3.1839
C2 1.3439 2.4577 1.4165 2.1178 1.0974 2.5908 2.0282 3.1839 2.0299
N3 1.4165 2.4577 3.7682 2.1139 2.7320 1.0206 3.9980 1.0216 4.4480
N4 2.4577 1.4165 3.7682 2.7320 2.1139 3.9980 1.0206 4.4480 1.0216
H5 1.0974 2.1178 2.1139 2.7320 3.0939 2.9677 2.4295 2.4112 3.5097
H6 2.1178 1.0974 2.7320 2.1139 3.0939 2.4295 2.9677 3.5097 2.4112
H7 2.0282 2.5908 1.0206 3.9980 2.9677 2.4295 4.4526 1.6488 4.5510
H8 2.5908 2.0282 3.9980 1.0206 2.4295 2.9677 4.4526 4.5510 1.6488
H9 2.0299 3.1839 1.0216 4.4480 2.4112 3.5097 1.6488 4.5510 5.0462
H10 3.1839 2.0299 4.4480 1.0216 3.5097 2.4112 4.5510 1.6488 5.0462
Maximum atom distance is 5.0462Å 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 125.807 C2 C1 N3 125.807
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.990 C1 N3 H7 111.619
C1 N3 H9 111.706 C2 C1 H5 119.990
C2 N4 H8 111.619 C2 N4 H10 111.706
N3 C1 H5 113.862 N4 C2 H6 113.862
H7 N3 H9 107.677 H8 N4 H10 107.677

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