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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=

B97D3/aug-cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3154 0.5973 0.0446   0.5521 0.3891 0.0446
C2 -0.3154 -0.5973 0.0446   -0.5521 -0.3891 0.0446
N3 -0.3154 1.8600 -0.1176   1.8851 -0.0751 -0.1176
N4 0.3154 -1.8600 -0.1176   -1.8851 0.0751 -0.1176
H5 1.4120 0.6450 0.0457   0.4593 1.4828 0.0457
H6 -1.4120 -0.6450 0.0457   -0.4593 -1.4828 0.0457
H7 -1.3308 1.7960 -0.0496   1.9513 -1.0904 -0.0496
H8 1.3308 -1.7960 -0.0496   -1.9513 1.0904 -0.0496
H9 0.0130 2.5492 0.5591   2.5267 0.3386 0.5591
H10 -0.0130 -2.5492 0.5591   -2.5267 -0.3386 0.5591
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3510 1.4208 2.4627 1.0976 2.1277 2.0386 2.6016 2.0411 3.2052
C2 1.3510 2.4627 1.4208 2.1277 1.0976 2.6016 2.0386 3.2052 2.0411
N3 1.4208 2.4627 3.7732 2.1182 2.7394 1.0197 4.0102 1.0201 4.4711
N4 2.4627 1.4208 3.7732 2.7394 2.1182 4.0102 1.0197 4.4711 1.0201
H5 1.0976 2.1277 2.1182 2.7394 3.1046 2.9761 2.4442 2.4180 3.5351
H6 2.1277 1.0976 2.7394 2.1182 3.1046 2.4442 2.9761 3.5351 2.4180
H7 2.0386 2.6016 1.0197 4.0102 2.9761 2.4442 4.4707 1.6564 4.5813
H8 2.6016 2.0386 4.0102 1.0197 2.4442 2.9761 4.4707 4.5813 1.6564
H9 2.0411 3.2052 1.0201 4.4711 2.4180 3.5351 1.6564 4.5813 5.0985
H10 3.2052 2.0411 4.4711 1.0201 3.5351 2.4180 4.5813 1.6564 5.0985
Maximum atom distance is 5.0985Å 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 125.354 C2 C1 N3 125.354
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.322 C1 N3 H7 112.252
C1 N3 H9 112.444 C2 C1 H5 120.322
C2 N4 H8 112.252 C2 N4 H10 112.444
N3 C1 H5 113.896 N4 C2 H6 113.896
H7 N3 H9 108.584 H8 N4 H10 108.584

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