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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-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3149 0.5906 0.0343   0.6264 0.2359 0.0343
C2 -0.3149 -0.5906 0.0343   -0.6264 -0.2359 0.0343
N3 -0.3149 1.8482 -0.1121   1.7920 -0.5511 -0.1121
N4 0.3149 -1.8482 -0.1121   -1.7920 0.5511 -0.1121
H5 1.3981 0.6266 0.0355   0.8020 1.3053 0.0355
H6 -1.3981 -0.6266 0.0355   -0.8020 -1.3053 0.0355
H7 -1.3208 1.7643 -0.0519   1.5788 -1.5377 -0.0519
H8 1.3208 -1.7643 -0.0519   -1.5788 1.5377 -0.0519
H9 -0.0094 2.5022 0.5955   2.4800 -0.3327 0.5955
H10 0.0094 -2.5022 0.5955   -2.4800 0.3327 0.5955
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3386 1.4140 2.4432 1.0838 2.1013 2.0150 2.5622 2.0184 3.1581
C2 1.3386 2.4432 1.4140 2.1013 1.0838 2.5622 2.0150 3.1581 2.0184
N3 1.4140 2.4432 3.7496 2.1091 2.7054 1.0112 3.9659 1.0108 4.4194
N4 2.4432 1.4140 3.7496 2.7054 2.1091 3.9659 1.0112 4.4194 1.0108
H5 1.0838 2.1013 2.1091 2.7054 3.0641 2.9486 2.3937 2.4109 3.4686
H6 2.1013 1.0838 2.7054 2.1091 3.0641 2.3937 2.9486 3.4686 2.4109
H7 2.0150 2.5622 1.0112 3.9659 2.9486 2.3937 4.4078 1.6381 4.5156
H8 2.5622 2.0150 3.9659 1.0112 2.3937 2.9486 4.4078 4.5156 1.6381
H9 2.0184 3.1581 1.0108 4.4194 2.4109 3.4686 1.6381 4.5156 5.0044
H10 3.1581 2.0184 4.4194 1.0108 3.4686 2.4109 4.5156 1.6381 5.0044
Maximum atom distance is 5.0044Å 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 125.120 C2 C1 N3 125.120
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.963 C1 N3 H7 111.289
C1 N3 H9 111.615 C2 C1 H5 119.963
C2 N4 H8 111.289 C2 N4 H10 111.615
N3 C1 H5 114.565 N4 C2 H6 114.565
H7 N3 H9 108.218 H8 N4 H10 108.218

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