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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/6-31G(2df,p)


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3134 0.5966 0.0429   0.5519 0.3867 0.0429
C2 -0.3134 -0.5966 0.0429   -0.5519 -0.3867 0.0429
N3 -0.3134 1.8667 -0.1199   1.8914 -0.0737 -0.1199
N4 0.3134 -1.8667 -0.1199   -1.8914 0.0737 -0.1199
H5 1.4078 0.6472 0.0473   0.4631 1.4786 0.0473
H6 -1.4078 -0.6472 0.0473   -0.4631 -1.4786 0.0473
H7 -1.3311 1.7972 -0.0411   1.9517 -1.0919 -0.0411
H8 1.3311 -1.7972 -0.0411   -1.9517 1.0919 -0.0411
H9 0.0102 2.5445 0.5757   2.5226 0.3335 0.5757
H10 -0.0102 -2.5445 0.5757   -2.5226 -0.3335 0.5757
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3478 1.4258 2.4687 1.0955 2.1236 2.0379 2.6024 2.0421 3.2024
C2 1.3478 2.4687 1.4258 2.1236 1.0955 2.6024 2.0379 3.2024 2.0421
N3 1.4258 2.4687 3.7857 2.1161 2.7469 1.0231 4.0168 1.0237 4.4761
N4 2.4687 1.4258 3.7857 2.7469 2.1161 4.0168 1.0231 4.4761 1.0237
H5 1.0955 2.1236 2.1161 2.7469 3.0988 2.9718 2.4472 2.4150 3.5323
H6 2.1236 1.0955 2.7469 2.1161 3.0988 2.4472 2.9718 3.5323 2.4150
H7 2.0379 2.6024 1.0231 4.0168 2.9718 2.4472 4.4728 1.6547 4.5799
H8 2.6024 2.0379 4.0168 1.0231 2.4472 2.9718 4.4728 4.5799 1.6547
H9 2.0421 3.2024 1.0237 4.4761 2.4150 3.5323 1.6547 4.5799 5.0891
H10 3.2024 2.0421 4.4761 1.0237 3.5323 2.4150 4.5799 1.6547 5.0891
Maximum atom distance is 5.0891Å 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 125.745 C2 C1 N3 125.745
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.365 C1 N3 H7 111.589
C1 N3 H9 111.915 C2 C1 H5 120.365
C2 N4 H8 111.589 C2 N4 H10 111.915
N3 C1 H5 113.482 N4 C2 H6 113.482
H7 N3 H9 107.883 H8 N4 H10 107.883

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