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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/aug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3143 0.5948 0.0441   0.5500 0.3872 0.0441
C2 -0.3143 -0.5948 0.0441   -0.5500 -0.3872 0.0441
N3 -0.3143 1.8627 -0.1142   1.8876 -0.0751 -0.1142
N4 0.3143 -1.8627 -0.1142   -1.8876 0.0751 -0.1142
H5 1.4045 0.6434 0.0468   0.4598 1.4748 0.0468
H6 -1.4045 -0.6434 0.0468   -0.4598 -1.4748 0.0468
H7 -1.3303 1.8155 -0.0528   1.9698 -1.0890 -0.0528
H8 1.3303 -1.8155 -0.0528   -1.9698 1.0890 -0.0528
H9 0.0292 2.5641 0.5406   2.5396 0.3546 0.5406
H10 -0.0292 -2.5641 0.5406   -2.5396 -0.3546 0.5406
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3454 1.4240 2.4626 1.0913 2.1183 2.0504 2.6175 2.0508 3.2160
C2 1.3454 2.4626 1.4240 2.1183 1.0913 2.6175 2.0504 3.2160 2.0508
N3 1.4240 2.4626 3.7781 2.1135 2.7377 1.0190 4.0296 1.0191 4.4841
N4 2.4626 1.4240 3.7781 2.7377 2.1135 4.0296 1.0190 4.4841 1.0191
H5 1.0913 2.1183 2.1135 2.7377 3.0897 2.9771 2.4620 2.4133 3.5479
H6 2.1183 1.0913 2.7377 2.1135 3.0897 2.4620 2.9771 3.5479 2.4133
H7 2.0504 2.6175 1.0190 4.0296 2.9771 2.4620 4.5015 1.6616 4.6071
H8 2.6175 2.0504 4.0296 1.0190 2.4620 2.9771 4.5015 4.6071 1.6616
H9 2.0508 3.2160 1.0191 4.4841 2.4133 3.5479 1.6616 4.6071 5.1285
H10 3.2160 2.0508 4.4841 1.0191 3.5479 2.4133 4.6071 1.6616 5.1285
Maximum atom distance is 5.1285Å 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 125.528 C2 C1 N3 125.528
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.404 C1 N3 H7 113.085
C1 N3 H9 113.116 C2 C1 H5 120.404
C2 N4 H8 113.085 C2 N4 H10 113.116
N3 C1 H5 113.673 N4 C2 H6 113.673
H7 N3 H9 109.221 H8 N4 H10 109.221

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