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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=

PBE1PBE/6-31G(2df,p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3103 0.5906 0.0329   0.6253 0.2326 0.0329
C2 -0.3103 -0.5906 0.0329   -0.6253 -0.2326 0.0329
N3 -0.3103 1.8454 -0.1102   1.7908 -0.5427 -0.1102
N4 0.3103 -1.8454 -0.1102   -1.7908 0.5427 -0.1102
H5 1.3990 0.6336 0.0355   0.8066 1.3070 0.0355
H6 -1.3990 -0.6336 0.0355   -0.8066 -1.3070 0.0355
H7 -1.3177 1.7773 -0.0393   1.5951 -1.5332 -0.0393
H8 1.3177 -1.7773 -0.0393   -1.5951 1.5332 -0.0393
H9 0.0161 2.5129 0.5774   2.4945 -0.3039 0.5774
H10 -0.0161 -2.5129 0.5774   -2.4945 0.3039 0.5774
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3343 1.4072 2.4401 1.0895 2.1025 2.0159 2.5742 2.0195 3.1678
C2 1.3343 2.4401 1.4072 2.1025 1.0895 2.5742 2.0159 3.1678 2.0195
N3 1.4072 2.4401 3.7425 2.1003 2.7114 1.0122 3.9723 1.0124 4.4220
N4 2.4401 1.4072 3.7425 2.7114 2.1003 3.9723 1.0122 4.4220 1.0124
H5 1.0895 2.1025 2.1003 2.7114 3.0716 2.9486 2.4134 2.3954 3.4924
H6 2.1025 1.0895 2.7114 2.1003 3.0716 2.4134 2.9486 3.4924 2.3954
H7 2.0159 2.5742 1.0122 3.9723 2.9486 2.4134 4.4249 1.6433 4.5255
H8 2.5742 2.0159 3.9723 1.0122 2.4134 2.9486 4.4249 4.5255 1.6433
H9 2.0195 3.1678 1.0124 4.4220 2.3954 3.4924 1.6433 4.5255 5.0260
H10 3.1678 2.0195 4.4220 1.0124 3.4924 2.3954 4.5255 1.6433 5.0260
Maximum atom distance is 5.0260Å 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 125.744 C2 C1 N3 125.744
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.985 C1 N3 H7 111.832
C1 N3 H9 112.131 C2 C1 H5 119.985
C2 N4 H8 111.832 C2 N4 H10 112.131
N3 C1 H5 113.939 N4 C2 H6 113.939
H7 N3 H9 108.527 H8 N4 H10 108.527

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