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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/daug-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 0.0359   0.6244 0.2341 0.0359
C2 -0.3119 -0.5894 0.0359   -0.6244 -0.2341 0.0359
N3 -0.3119 1.8486 -0.1063   1.7936 -0.5455 -0.1063
N4 0.3119 -1.8486 -0.1063   -1.7936 0.5455 -0.1063
H5 1.3961 0.6337 0.0383   0.8069 1.3037 0.0383
H6 -1.3961 -0.6337 0.0383   -0.8069 -1.3037 0.0383
H7 -1.3203 1.8042 -0.0540   1.6207 -1.5399 -0.0540
H8 1.3203 -1.8042 -0.0540   -1.6207 1.5399 -0.0540
H9 0.0313 2.5413 0.5447   2.5245 -0.2937 0.5447
H10 -0.0313 -2.5413 0.5447   -2.5245 0.2937 0.5447
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3337 1.4125 2.4422 1.0851 2.1008 2.0366 2.5989 2.0366 3.1903
C2 1.3337 2.4422 1.4125 2.1008 1.0851 2.5989 2.0366 3.1903 2.0366
N3 1.4125 2.4422 3.7495 2.1010 2.7126 1.0107 4.0012 1.0107 4.4468
N4 2.4422 1.4125 3.7495 2.7126 2.1010 4.0012 1.0107 4.4468 1.0107
H5 1.0851 2.1008 2.1010 2.7126 3.0664 2.9593 2.4408 2.3997 3.5178
H6 2.1008 1.0851 2.7126 2.1010 3.0664 2.4408 2.9593 3.5178 2.3997
H7 2.0366 2.5989 1.0107 4.0012 2.9593 2.4408 4.4713 1.6518 4.5720
H8 2.5989 2.0366 4.0012 1.0107 2.4408 2.9593 4.4713 4.5720 1.6518
H9 2.0366 3.1903 1.0107 4.4468 2.3997 3.5178 1.6518 4.5720 5.0831
H10 3.1903 2.0366 4.4468 1.0107 3.5178 2.3997 4.5720 1.6518 5.0831
Maximum atom distance is 5.0831Å 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 125.545 C2 C1 N3 125.545
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.229 C1 N3 H7 113.346
C1 N3 H9 113.339 C2 C1 H5 120.229
C2 N4 H8 113.346 C2 N4 H10 113.339
N3 C1 H5 113.901 N4 C2 H6 113.901
H7 N3 H9 109.606 H8 N4 H10 109.606

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