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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=

B3LYP/aug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3119 0.5894 0.0359   0.5449 0.3844 0.0359
C2 -0.3119 -0.5894 0.0359   -0.5449 -0.3844 0.0359
N3 -0.3119 1.8486 -0.1064   1.8733 -0.0743 -0.1064
N4 0.3119 -1.8486 -0.1064   -1.8733 0.0743 -0.1064
H5 1.3961 0.6337 0.0381   0.4510 1.4654 0.0381
H6 -1.3961 -0.6337 0.0381   -0.4510 -1.4654 0.0381
H7 -1.3203 1.8043 -0.0535   1.9575 -1.0801 -0.0535
H8 1.3203 -1.8043 -0.0535   -1.9575 1.0801 -0.0535
H9 0.0316 2.5414 0.5444   2.5168 0.3546 0.5444
H10 -0.0316 -2.5414 0.5444   -2.5168 -0.3546 0.5444
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3337 1.4125 2.4422 1.0851 2.1008 2.0367 2.5989 2.0366 3.1904
C2 1.3337 2.4422 1.4125 2.1008 1.0851 2.5989 2.0367 3.1904 2.0366
N3 1.4125 2.4422 3.7495 2.1010 2.7126 1.0107 4.0013 1.0107 4.4469
N4 2.4422 1.4125 3.7495 2.7126 2.1010 4.0013 1.0107 4.4469 1.0107
H5 1.0851 2.1008 2.1010 2.7126 3.0664 2.9593 2.4409 2.3995 3.5180
H6 2.1008 1.0851 2.7126 2.1010 3.0664 2.4409 2.9593 3.5180 2.3995
H7 2.0367 2.5989 1.0107 4.0013 2.9593 2.4409 4.4715 1.6518 4.5720
H8 2.5989 2.0367 4.0013 1.0107 2.4409 2.9593 4.4715 4.5720 1.6518
H9 2.0366 3.1904 1.0107 4.4469 2.3995 3.5180 1.6518 4.5720 5.0833
H10 3.1904 2.0366 4.4469 1.0107 3.5180 2.3995 4.5720 1.6518 5.0833
Maximum atom distance is 5.0833Å 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 125.545 C2 C1 N3 125.545
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.232 C1 N3 H7 113.344
C1 N3 H9 113.335 C2 C1 H5 120.232
C2 N4 H8 113.344 C2 N4 H10 113.335
N3 C1 H5 113.897 N4 C2 H6 113.897
H7 N3 H9 109.603 H8 N4 H10 109.603

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