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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/daug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3113 0.5897 0.0355   0.5453 0.3837 0.0355
C2 -0.3113 -0.5897 0.0355   -0.5453 -0.3837 0.0355
N3 -0.3113 1.8439 -0.1069   1.8685 -0.0745 -0.1069
N4 0.3113 -1.8439 -0.1069   -1.8685 0.0745 -0.1069
H5 1.3970 0.6326 0.0369   0.4500 1.4661 0.0369
H6 -1.3970 -0.6326 0.0369   -0.4500 -1.4661 0.0369
H7 -1.3187 1.7956 -0.0477   1.9486 -1.0799 -0.0477
H8 1.3187 -1.7956 -0.0477   -1.9486 1.0799 -0.0477
H9 0.0320 2.5345 0.5459   2.5099 0.3538 0.5459
H10 -0.0320 -2.5345 0.5459   -2.5099 -0.3538 0.5459
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3336 1.4075 2.4377 1.0866 2.1006 2.0293 2.5906 2.0300 3.1841
C2 1.3336 2.4377 1.4075 2.1006 1.0866 2.5906 2.0293 3.1841 2.0300
N3 1.4075 2.4377 3.7400 2.0991 2.7079 1.0103 3.9883 1.0104 4.4355
N4 2.4377 1.4075 3.7400 2.7079 2.0991 3.9883 1.0103 4.4355 1.0104
H5 1.0866 2.1006 2.0991 2.7079 3.0672 2.9555 2.4309 2.3957 3.5116
H6 2.1006 1.0866 2.7079 2.0991 3.0672 2.4309 2.9555 3.5116 2.3957
H7 2.0293 2.5906 1.0103 3.9883 2.9555 2.4309 4.4556 1.6501 4.5560
H8 2.5906 2.0293 3.9883 1.0103 2.4309 2.9555 4.4556 4.5560 1.6501
H9 2.0300 3.1841 1.0104 4.4355 2.3957 3.5116 1.6501 4.5560 5.0693
H10 3.1841 2.0300 4.4355 1.0104 3.5116 2.3957 4.5560 1.6501 5.0693
Maximum atom distance is 5.0693Å 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 125.554 C2 C1 N3 125.554
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.098 C1 N3 H7 113.113
C1 N3 H9 113.164 C2 C1 H5 120.098
C2 N4 H8 113.113 C2 N4 H10 113.164
N3 C1 H5 114.012 N4 C2 H6 114.012
H7 N3 H9 109.494 H8 N4 H10 109.494

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