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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-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3125 0.5955 0.0452   0.6304 0.2343 0.0452
C2 -0.3125 -0.5955 0.0452   -0.6304 -0.2343 0.0452
N3 -0.3125 1.8548 -0.1183   1.8002 -0.5454 -0.1183
N4 0.3125 -1.8548 -0.1183   -1.8002 0.5454 -0.1183
H5 1.4064 0.6397 0.0495   0.8131 1.3138 0.0495
H6 -1.4064 -0.6397 0.0495   -0.8131 -1.3138 0.0495
H7 -1.3283 1.7891 -0.0534   1.6060 -1.5447 -0.0534
H8 1.3283 -1.7891 -0.0534   -1.6060 1.5447 -0.0534
H9 0.0141 2.5425 0.5610   2.5237 -0.3088 0.5610
H10 -0.0141 -2.5425 0.5610   -2.5237 0.3088 0.5610
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3451 1.4153 2.4558 1.0948 2.1167 2.0313 2.5939 2.0361 3.1968
C2 1.3451 2.4558 1.4153 2.1167 1.0948 2.5939 2.0313 3.1968 2.0361
N3 1.4153 2.4558 3.7620 2.1116 2.7290 1.0200 3.9968 1.0202 4.4594
N4 2.4558 1.4153 3.7620 2.7290 2.1116 3.9968 1.0200 4.4594 1.0202
H5 1.0948 2.1167 2.1116 2.7290 3.0901 2.9681 2.4323 2.4126 3.5221
H6 2.1167 1.0948 2.7290 2.1116 3.0901 2.4323 2.9681 3.5221 2.4126
H7 2.0313 2.5939 1.0200 3.9968 2.9681 2.4323 4.4565 1.6574 4.5680
H8 2.5939 2.0313 3.9968 1.0200 2.4323 2.9681 4.4565 4.5680 1.6574
H9 2.0361 3.1968 1.0202 4.4594 2.4126 3.5221 1.6574 4.5680 5.0850
H10 3.1968 2.0361 4.4594 1.0202 3.5221 2.4126 4.5680 1.6574 5.0850
Maximum atom distance is 5.0850Å 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 125.646 C2 C1 N3 125.646
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.997 C1 N3 H7 112.027
C1 N3 H9 112.424 C2 C1 H5 119.997
C2 N4 H8 112.027 C2 N4 H10 112.424
N3 C1 H5 113.936 N4 C2 H6 113.936
H7 N3 H9 108.652 H8 N4 H10 108.652

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