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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=

QCISD(T)=FULL/6-31+G**


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3187 0.5932 0.0385   0.5465 0.3935 0.0385
C2 -0.3187 -0.5932 0.0385   -0.5465 -0.3935 0.0385
N3 -0.3187 1.8578 -0.1117   1.8835 -0.0732 -0.1117
N4 0.3187 -1.8578 -0.1117   -1.8835 0.0732 -0.1117
H5 1.4037 0.6403 0.0353   0.4514 1.4754 0.0353
H6 -1.4037 -0.6403 0.0353   -0.4514 -1.4754 0.0353
H7 -1.3289 1.7817 -0.0726   1.9401 -1.0847 -0.0726
H8 1.3289 -1.7817 -0.0726   -1.9401 1.0847 -0.0726
H9 -0.0132 2.5245 0.5881   2.5045 0.3168 0.5881
H10 0.0132 -2.5245 0.5881   -2.5045 -0.3168 0.5881
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3468 1.4241 2.4556 1.0861 2.1186 2.0346 2.5832 2.0352 3.1805
C2 1.3468 2.4556 1.4241 2.1186 1.0861 2.5832 2.0346 3.1805 2.0352
N3 1.4241 2.4556 3.7699 2.1144 2.7276 1.0138 3.9953 1.0136 4.4502
N4 2.4556 1.4241 3.7699 2.7276 2.1144 3.9953 1.0138 4.4502 1.0136
H5 1.0861 2.1186 2.1144 2.7276 3.0858 2.9634 2.4256 2.4215 3.5007
H6 2.1186 1.0861 2.7276 2.1144 3.0858 2.4256 2.9634 3.5007 2.4215
H7 2.0346 2.5832 1.0138 3.9953 2.9634 2.4256 4.4455 1.6490 4.5587
H8 2.5832 2.0346 3.9953 1.0138 2.4256 2.9634 4.4455 4.5587 1.6490
H9 2.0352 3.1805 1.0136 4.4502 2.4215 3.5007 1.6490 4.5587 5.0490
H10 3.1805 2.0352 4.4502 1.0136 3.5007 2.4215 4.5587 1.6490 5.0490
Maximum atom distance is 5.0490Å 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 124.780 C2 C1 N3 124.780
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.734 C1 N3 H7 112.042
C1 N3 H9 112.109 C2 C1 H5 120.734
C2 N4 H8 112.042 C2 N4 H10 112.109
N3 C1 H5 114.099 N4 C2 H6 114.099
H7 N3 H9 108.849 H8 N4 H10 108.849

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