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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=

BLYP/Def2TZVPP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3140 0.5954 0.0459   0.6305 0.2356 0.0459
C2 -0.3140 -0.5954 0.0459   -0.6305 -0.2356 0.0459
N3 -0.3140 1.8626 -0.1166   1.8075 -0.5485 -0.1166
N4 0.3140 -1.8626 -0.1166   -1.8075 0.5485 -0.1166
H5 1.4049 0.6433 0.0492   0.8169 1.3116 0.0492
H6 -1.4049 -0.6433 0.0492   -0.8169 -1.3116 0.0492
H7 -1.3302 1.8098 -0.0561   1.6258 -1.5497 -0.0561
H8 1.3302 -1.8098 -0.0561   -1.6258 1.5497 -0.0561
H9 0.0217 2.5595 0.5477   2.5414 -0.3043 0.5477
H10 -0.0217 -2.5595 0.5477   -2.5414 0.3043 0.5477
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3462 1.4236 2.4634 1.0920 2.1187 2.0466 2.6131 2.0481 3.2121
C2 1.3462 2.4634 1.4236 2.1187 1.0920 2.6131 2.0466 3.2121 2.0481
N3 1.4236 2.4634 3.7778 2.1140 2.7381 1.0194 4.0242 1.0196 4.4813
N4 2.4634 1.4236 3.7778 2.7381 2.1140 4.0242 1.0194 4.4813 1.0196
H5 1.0920 2.1187 2.1140 2.7381 3.0904 2.9753 2.4565 2.4153 3.5414
H6 2.1187 1.0920 2.7381 2.1140 3.0904 2.4565 2.9753 3.5414 2.4153
H7 2.0466 2.6131 1.0194 4.0242 2.9753 2.4565 4.4921 1.6595 4.6008
H8 2.6131 2.0466 4.0242 1.0194 2.4565 2.9753 4.4921 4.6008 1.6595
H9 2.0481 3.2121 1.0196 4.4813 2.4153 3.5414 1.6595 4.6008 5.1191
H10 3.2121 2.0481 4.4813 1.0196 3.5414 2.4153 4.6008 1.6595 5.1191
Maximum atom distance is 5.1191Å 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 125.567 C2 C1 N3 125.567
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.316 C1 N3 H7 112.759
C1 N3 H9 112.880 C2 C1 H5 120.316
C2 N4 H8 112.759 C2 N4 H10 112.880
N3 C1 H5 113.704 N4 C2 H6 113.704
H7 N3 H9 108.956 H8 N4 H10 108.956

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