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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=

B3LYPultrafine/aug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3119 0.5894 0.0362   0.6244 0.2342 0.0362
C2 -0.3119 -0.5894 0.0362   -0.6244 -0.2342 0.0362
N3 -0.3119 1.8486 -0.1064   1.7938 -0.5449 -0.1064
N4 0.3119 -1.8486 -0.1064   -1.7938 0.5449 -0.1064
H5 1.3960 0.6338 0.0385   0.8065 1.3039 0.0385
H6 -1.3960 -0.6338 0.0385   -0.8065 -1.3039 0.0385
H7 -1.3203 1.8045 -0.0549   1.6216 -1.5395 -0.0549
H8 1.3203 -1.8045 -0.0549   -1.6216 1.5395 -0.0549
H9 0.0311 2.5415 0.5445   2.5247 -0.2930 0.5445
H10 -0.0311 -2.5415 0.5445   -2.5247 0.2930 0.5445
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3337 1.4124 2.4422 1.0851 2.1007 2.0368 2.5993 2.0366 3.1904
C2 1.3337 2.4422 1.4124 2.1007 1.0851 2.5993 2.0368 3.1904 2.0366
N3 1.4124 2.4422 3.7495 2.1009 2.7127 1.0107 4.0015 1.0107 4.4470
N4 2.4422 1.4124 3.7495 2.7127 2.1009 4.0015 1.0107 4.4470 1.0107
H5 1.0851 2.1007 2.1009 2.7127 3.0663 2.9594 2.4412 2.3997 3.5178
H6 2.1007 1.0851 2.7127 2.1009 3.0663 2.4412 2.9594 3.5178 2.3997
H7 2.0368 2.5993 1.0107 4.0015 2.9594 2.4412 4.4719 1.6519 4.5726
H8 2.5993 2.0368 4.0015 1.0107 2.4412 2.9594 4.4719 4.5726 1.6519
H9 2.0366 3.1904 1.0107 4.4470 2.3997 3.5178 1.6519 4.5726 5.0834
H10 3.1904 2.0366 4.4470 1.0107 3.5178 2.3997 4.5726 1.6519 5.0834
Maximum atom distance is 5.0834Å 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 125.554 C2 C1 N3 125.554
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.226 C1 N3 H7 113.364
C1 N3 H9 113.345 C2 C1 H5 120.226
C2 N4 H8 113.364 C2 N4 H10 113.345
N3 C1 H5 113.892 N4 C2 H6 113.892
H7 N3 H9 109.616 H8 N4 H10 109.616

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