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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=

mPW1PW91/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3108 0.5939 0.0328   0.5496 0.3839 0.0328
C2 -0.3108 -0.5939 0.0328   -0.5496 -0.3839 0.0328
N3 -0.3108 1.8500 -0.1129   1.8745 -0.0729 -0.1129
N4 0.3108 -1.8500 -0.1129   -1.8745 0.0729 -0.1129
H5 1.4057 0.6362 0.0351   0.4522 1.4753 0.0351
H6 -1.4057 -0.6362 0.0351   -0.4522 -1.4753 0.0351
H7 -1.3226 1.7775 -0.0337   1.9313 -1.0857 -0.0337
H8 1.3226 -1.7775 -0.0337   -1.9313 1.0857 -0.0337
H9 0.0090 2.5112 0.5924   2.4896 0.3284 0.5924
H10 -0.0090 -2.5112 0.5924   -2.4896 -0.3284 0.5924
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3407 1.4090 2.4483 1.0957 2.1118 2.0182 2.5791 2.0199 3.1713
C2 1.3407 2.4483 1.4090 2.1118 1.0957 2.5791 2.0182 3.1713 2.0199
N3 1.4090 2.4483 3.7518 2.1075 2.7207 1.0174 3.9790 1.0183 4.4281
N4 2.4483 1.4090 3.7518 2.7207 2.1075 3.9790 1.0174 4.4281 1.0183
H5 1.0957 2.1118 2.1075 2.7207 3.0860 2.9582 2.4161 2.4035 3.4954
H6 2.1118 1.0957 2.7207 2.1075 3.0860 2.4161 2.9582 3.4954 2.4035
H7 2.0182 2.5791 1.0174 3.9790 2.9582 2.4161 4.4311 1.6442 4.5288
H8 2.5791 2.0182 3.9790 1.0174 2.4161 2.9582 4.4311 4.5288 1.6442
H9 2.0199 3.1713 1.0183 4.4281 2.4035 3.4954 1.6442 4.5288 5.0224
H10 3.1713 2.0199 4.4281 1.0183 3.4954 2.4035 4.5288 1.6442 5.0224
Maximum atom distance is 5.0224Å 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 125.820 C2 C1 N3 125.820
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.837 C1 N3 H7 111.540
C1 N3 H9 111.634 C2 C1 H5 119.837
C2 N4 H8 111.540 C2 N4 H10 111.634
N3 C1 H5 113.997 N4 C2 H6 113.997
H7 N3 H9 107.738 H8 N4 H10 107.738

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