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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=

B3PW91/TZVP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3110 0.5906 0.0404   0.6253 0.2333 0.0404
C2 -0.3110 -0.5906 0.0404   -0.6253 -0.2333 0.0404
N3 -0.3110 1.8448 -0.1086   1.7903 -0.5432 -0.1086
N4 0.3110 -1.8448 -0.1086   -1.7903 0.5432 -0.1086
H5 1.3979 0.6348 0.0421   0.8075 1.3058 0.0421
H6 -1.3979 -0.6348 0.0421   -0.8075 -1.3058 0.0421
H7 -1.3204 1.7949 -0.0797   1.6122 -1.5381 -0.0797
H8 1.3204 -1.7949 -0.0797   -1.6122 1.5381 -0.0797
H9 0.0153 2.5342 0.5556   2.5156 -0.3073 0.5556
H10 -0.0153 -2.5342 0.5556   -2.5156 0.3073 0.5556
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3349 1.4079 2.4400 1.0879 2.1028 2.0313 2.5930 2.0324 3.1837
C2 1.3349 2.4400 1.4079 2.1028 1.0879 2.5930 2.0313 3.1837 2.0324
N3 1.4079 2.4400 3.7417 2.0994 2.7116 1.0111 3.9887 1.0114 4.4390
N4 2.4400 1.4079 3.7417 2.7116 2.0994 3.9887 1.0111 4.4390 1.0114
H5 1.0879 2.1028 2.0994 2.7116 3.0706 2.9580 2.4339 2.4048 3.5076
H6 2.1028 1.0879 2.7116 2.0994 3.0706 2.4339 2.9580 3.5076 2.4048
H7 2.0313 2.5930 1.0111 3.9887 2.9580 2.4339 4.4564 1.6536 4.5659
H8 2.5930 2.0313 3.9887 1.0111 2.4339 2.9580 4.4564 4.5659 1.6536
H9 2.0324 3.1837 1.0114 4.4390 2.4048 3.5076 1.6536 4.5659 5.0685
H10 3.1837 2.0324 4.4390 1.0114 3.5076 2.4048 4.5659 1.6536 5.0685
Maximum atom distance is 5.0685Å 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 125.625 C2 C1 N3 125.625
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.096 C1 N3 H7 113.202
C1 N3 H9 113.280 C2 C1 H5 120.096
C2 N4 H8 113.202 C2 N4 H10 113.280
N3 C1 H5 113.913 N4 C2 H6 113.913
H7 N3 H9 109.694 H8 N4 H10 109.694

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