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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=

PBEPBE/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3128 0.6008 0.0446   0.5563 0.3865 0.0446
C2 -0.3128 -0.6008 0.0446   -0.5563 -0.3865 0.0446
N3 -0.3128 1.8617 -0.1237   1.8864 -0.0739 -0.1237
N4 0.3128 -1.8617 -0.1237   -1.8864 0.0739 -0.1237
H5 1.4172 0.6459 0.0503   0.4607 1.4878 0.0503
H6 -1.4172 -0.6459 0.0503   -0.4607 -1.4878 0.0503
H7 -1.3348 1.7833 -0.0378   1.9383 -1.0976 -0.0378
H8 1.3348 -1.7833 -0.0378   -1.9383 1.0976 -0.0378
H9 0.0030 2.5375 0.5859   2.5166 0.3251 0.5859
H10 -0.0030 -2.5375 0.5859   -2.5166 -0.3251 0.5859
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3548 1.4175 2.4683 1.1054 2.1324 2.0297 2.5953 2.0346 3.2003
C2 1.3548 2.4683 1.4175 2.1324 1.1054 2.5953 2.0297 3.2003 2.0346
N3 1.4175 2.4683 3.7756 2.1216 2.7456 1.0287 4.0010 1.0295 4.4668
N4 2.4683 1.4175 3.7756 2.7456 2.1216 4.0010 1.0287 4.4668 1.0295
H5 1.1054 2.1324 2.1216 2.7456 3.1150 2.9791 2.4322 2.4218 3.5267
H6 2.1324 1.1054 2.7456 2.1216 3.1150 2.4322 2.9791 3.5267 2.4218
H7 2.0297 2.5953 1.0287 4.0010 2.9791 2.4322 4.4551 1.6575 4.5642
H8 2.5953 2.0297 4.0010 1.0287 2.4322 2.9791 4.4551 4.5642 1.6575
H9 2.0346 3.2003 1.0295 4.4668 2.4218 3.5267 1.6575 4.5642 5.0749
H10 3.2003 2.0346 4.4668 1.0295 3.5267 2.4218 4.5642 1.6575 5.0749
Maximum atom distance is 5.0749Å 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 125.819 C2 C1 N3 125.819
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.835 C1 N3 H7 111.144
C1 N3 H9 111.508 C2 C1 H5 119.835
C2 N4 H8 111.144 C2 N4 H10 111.508
N3 C1 H5 113.908 N4 C2 H6 113.908
H7 N3 H9 107.286 H8 N4 H10 107.286

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