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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=

CCSD(T)=FULL/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3175 0.5983 0.0290   0.6347 0.2366 0.0290
C2 -0.3175 -0.5983 0.0290   -0.6347 -0.2366 0.0290
N3 -0.3175 1.8703 -0.1172   1.8128 -0.5591 -0.1172
N4 0.3175 -1.8703 -0.1172   -1.8128 0.5591 -0.1172
H5 1.4172 0.6401 0.0274   0.8197 1.3215 0.0274
H6 -1.4172 -0.6401 0.0274   -0.8197 -1.3215 0.0274
H7 -1.3312 1.7613 -0.0211   1.5723 -1.5499 -0.0211
H8 1.3312 -1.7613 -0.0211   -1.5723 1.5499 -0.0211
H9 -0.0229 2.4937 0.6406   2.4694 -0.3485 0.6406
H10 0.0229 -2.4937 0.6406   -2.4694 0.3485 0.6406
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3547 1.4292 2.4730 1.1005 2.1314 2.0183 2.5687 2.0205 3.1657
C2 1.3547 2.4730 1.4292 2.1314 1.1005 2.5687 2.0183 3.1657 2.0205
N3 1.4292 2.4730 3.7941 2.1316 2.7445 1.0241 3.9895 1.0245 4.4424
N4 2.4730 1.4292 3.7941 2.7445 2.1316 3.9895 1.0241 4.4424 1.0245
H5 1.1005 2.1314 2.1316 2.7445 3.1101 2.9688 2.4034 2.4261 3.4844
H6 2.1314 1.1005 2.7445 2.1316 3.1101 2.4034 2.9688 3.4844 2.4261
H7 2.0183 2.5687 1.0241 3.9895 2.9688 2.4034 4.4157 1.6389 4.5141
H8 2.5687 2.0183 3.9895 1.0241 2.4034 2.9688 4.4157 4.5141 1.6389
H9 2.0205 3.1657 1.0245 4.4424 2.4261 3.4844 1.6389 4.5141 4.9877
H10 3.1657 2.0205 4.4424 1.0245 3.4844 2.4261 4.5141 1.6389 4.9877
Maximum atom distance is 4.9877Å 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 125.303 C2 C1 N3 125.303
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.126 C1 N3 H7 109.605
C1 N3 H9 109.763 C2 C1 H5 120.126
C2 N4 H8 109.605 C2 N4 H10 109.763
N3 C1 H5 114.212 N4 C2 H6 114.212
H7 N3 H9 106.260 H8 N4 H10 106.260

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