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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=

TPSSh/aug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3132 0.5904 0.0401   0.6256 0.2351 0.0401
C2 -0.3132 -0.5904 0.0401   -0.6256 -0.2351 0.0401
N3 -0.3132 1.8497 -0.1123   1.7944 -0.5472 -0.1123
N4 0.3132 -1.8497 -0.1123   -1.7944 0.5472 -0.1123
H5 1.3985 0.6378 0.0410   0.8115 1.3055 0.0410
H6 -1.3985 -0.6378 0.0410   -0.8115 -1.3055 0.0410
H7 -1.3227 1.7936 -0.0475   1.6097 -1.5412 -0.0475
H8 1.3227 -1.7936 -0.0475   -1.6097 1.5412 -0.0475
H9 0.0232 2.5371 0.5519   2.5193 -0.3015 0.5519
H10 -0.0232 -2.5371 0.5519   -2.5193 0.3015 0.5519
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3367 1.4147 2.4449 1.0864 2.1068 2.0325 2.5904 2.0336 3.1870
C2 1.3367 2.4449 1.4147 2.1068 1.0864 2.5904 2.0325 3.1870 2.0336
N3 1.4147 2.4449 3.7520 2.1029 2.7183 1.0131 3.9942 1.0134 4.4463
N4 2.4449 1.4147 3.7520 2.7183 2.1029 3.9942 1.0131 4.4463 1.0134
H5 1.0864 2.1068 2.1029 2.7183 3.0742 2.9578 2.4342 2.4000 3.5161
H6 2.1068 1.0864 2.7183 2.1029 3.0742 2.4342 2.9578 3.5161 2.4000
H7 2.0325 2.5904 1.0131 3.9942 2.9578 2.4342 4.4571 1.6503 4.5610
H8 2.5904 2.0325 3.9942 1.0131 2.4342 2.9578 4.4571 4.5610 1.6503
H9 2.0336 3.1870 1.0134 4.4463 2.4000 3.5161 1.6503 4.5610 5.0745
H10 3.1870 2.0336 4.4463 1.0134 3.5161 2.4000 4.5610 1.6503 5.0745
Maximum atom distance is 5.0745Å 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 125.375 C2 C1 N3 125.375
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.441 C1 N3 H7 112.643
C1 N3 H9 112.722 C2 C1 H5 120.441
C2 N4 H8 112.643 C2 N4 H10 112.722
N3 C1 H5 113.803 N4 C2 H6 113.803
H7 N3 H9 109.049 H8 N4 H10 109.049

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