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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=

MP2/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3160 0.5981 0.0319   0.6342 0.2353 0.0319
C2 -0.3160 -0.5981 0.0319   -0.6342 -0.2353 0.0319
N3 -0.3160 1.8630 -0.1175   1.8058 -0.5565 -0.1175
N4 0.3160 -1.8630 -0.1175   -1.8058 0.5565 -0.1175
H5 1.4140 0.6365 0.0313   0.8156 1.3188 0.0313
H6 -1.4140 -0.6365 0.0313   -0.8156 -1.3188 0.0313
H7 -1.3290 1.7615 -0.0250   1.5730 -1.5475 -0.0250
H8 1.3290 -1.7615 -0.0250   -1.5730 1.5475 -0.0250
H9 -0.0163 2.4993 0.6247   2.4758 -0.3424 0.6247
H10 0.0163 -2.4993 0.6247   -2.4758 0.3424 0.6247
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3529 1.4219 2.4656 1.0986 2.1253 2.0157 2.5685 2.0190 3.1678
C2 1.3529 2.4656 1.4219 2.1253 1.0986 2.5685 2.0157 3.1678 2.0190
N3 1.4219 2.4656 3.7792 2.1259 2.7340 1.0222 3.9814 1.0225 4.4374
N4 2.4656 1.4219 3.7792 2.7340 2.1259 3.9814 1.0222 4.4374 1.0225
H5 1.0986 2.1253 2.1259 2.7340 3.1013 2.9652 2.4002 2.4223 3.4840
H6 2.1253 1.0986 2.7340 2.1259 3.1013 2.4002 2.9652 3.4840 2.4223
H7 2.0157 2.5685 1.0222 3.9814 2.9652 2.4002 4.4132 1.6399 4.5151
H8 2.5685 2.0157 3.9814 1.0222 2.4002 2.9652 4.4132 4.5151 1.6399
H9 2.0190 3.1678 1.0225 4.4374 2.4223 3.4840 1.6399 4.5151 4.9986
H10 3.1678 2.0190 4.4374 1.0225 3.4840 2.4223 4.5151 1.6399 4.9986
Maximum atom distance is 4.9986Å 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 125.370 C2 C1 N3 125.370
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.856 C1 N3 H7 110.043
C1 N3 H9 110.308 C2 C1 H5 119.856
C2 N4 H8 110.043 C2 N4 H10 110.308
N3 C1 H5 114.400 N4 C2 H6 114.400
H7 N3 H9 106.654 H8 N4 H10 106.654

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