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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=

B3PW91/6-311G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3100 0.5925 0.0416   0.5482 0.3829 0.0416
C2 -0.3100 -0.5925 0.0416   -0.5482 -0.3829 0.0416
N3 -0.3100 1.8496 -0.1123   1.8740 -0.0721 -0.1123
N4 0.3100 -1.8496 -0.1123   -1.8740 0.0721 -0.1123
H5 1.3989 0.6389 0.0408   0.4556 1.4688 0.0408
H6 -1.3989 -0.6389 0.0408   -0.4556 -1.4688 0.0408
H7 -1.3200 1.7887 -0.0800   1.9421 -1.0817 -0.0800
H8 1.3200 -1.7887 -0.0800   -1.9421 1.0817 -0.0800
H9 0.0023 2.5240 0.5759   2.5032 0.3235 0.5759
H10 -0.0023 -2.5240 0.5759   -2.5032 -0.3235 0.5759
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3374 1.4101 2.4469 1.0899 2.1063 2.0255 2.5894 2.0275 3.1773
C2 1.3374 2.4469 1.4101 2.1063 1.0899 2.5894 2.0255 3.1773 2.0275
N3 1.4101 2.4469 3.7508 2.0999 2.7206 1.0124 3.9869 1.0129 4.4381
N4 2.4469 1.4101 3.7508 2.7206 2.0999 3.9869 1.0124 4.4381 1.0129
H5 1.0899 2.1063 2.0999 2.7206 3.0757 2.9545 2.4318 2.4064 3.5005
H6 2.1063 1.0899 2.7206 2.0999 3.0757 2.4318 2.9545 3.5005 2.4064
H7 2.0255 2.5894 1.0124 3.9869 2.9545 2.4318 4.4461 1.6491 4.5570
H8 2.5894 2.0255 3.9869 1.0124 2.4318 2.9545 4.4461 4.5570 1.6491
H9 2.0275 3.1773 1.0129 4.4381 2.4064 3.5005 1.6491 4.5570 5.0480
H10 3.1773 2.0275 4.4381 1.0129 3.5005 2.4064 4.5570 1.6491 5.0480
Maximum atom distance is 5.0480Å 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 125.880 C2 C1 N3 125.880
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.057 C1 N3 H7 112.427
C1 N3 H9 112.572 C2 C1 H5 120.057
C2 N4 H8 112.427 C2 N4 H10 112.572
N3 C1 H5 113.656 N4 C2 H6 113.656
H7 N3 H9 109.025 H8 N4 H10 109.025

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