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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/CEP-121G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3279 0.6050 0.0630   0.6427 0.2459 0.0630
C2 -0.3279 -0.6050 0.0630   -0.6427 -0.2459 0.0630
N3 -0.3279 1.8859 -0.1051   1.8268 -0.5718 -0.1051
N4 0.3279 -1.8859 -0.1051   -1.8268 0.5718 -0.1051
H5 1.4227 0.6521 0.0674   0.8326 1.3252 0.0674
H6 -1.4227 -0.6521 0.0674   -0.8326 -1.3252 0.0674
H7 -1.3349 1.8400 -0.2560   1.6495 -1.5642 -0.2560
H8 1.3349 -1.8400 -0.2560   -1.6495 1.5642 -0.2560
H9 -0.0494 2.6181 0.5464   2.5891 -0.3916 0.5464
H10 0.0494 -2.6181 0.5464   -2.5891 0.3916 0.5464
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3762 1.4488 2.4966 1.0959 2.1552 2.0957 2.6634 2.1044 3.2710
C2 1.3762 2.4966 1.4488 2.1552 1.0959 2.6634 2.0957 3.2710 2.1044
N3 1.4488 2.4966 3.8284 2.1487 2.7695 1.0193 4.0829 1.0188 4.5665
N4 2.4966 1.4488 3.8284 2.7695 2.1487 4.0829 1.0193 4.5665 1.0188
H5 1.0959 2.1552 2.1487 2.7695 3.1301 3.0200 2.5145 2.5024 3.5790
H6 2.1552 1.0959 2.7695 2.1487 3.1301 2.5145 3.0200 3.5790 2.5024
H7 2.0957 2.6634 1.0193 4.0829 3.0200 2.5145 4.5465 1.7034 4.7365
H8 2.6634 2.0957 4.0829 1.0193 2.5145 3.0200 4.5465 4.7365 1.7034
H9 2.1044 3.2710 1.0188 4.5665 2.5024 3.5790 1.7034 4.7365 5.2371
H10 3.2710 2.1044 4.5665 1.0188 3.5790 2.5024 4.7365 1.7034 5.2371
Maximum atom distance is 5.2371Å 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 124.173 C2 C1 N3 124.173
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.917 C1 N3 H7 115.118
C1 N3 H9 115.944 C2 C1 H5 120.917
C2 N4 H8 115.118 C2 N4 H10 115.944
N3 C1 H5 114.497 N4 C2 H6 114.497
H7 N3 H9 113.394 H8 N4 H10 113.394

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