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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/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3143 0.6010 0.0435   0.5562 0.3881 0.0435
C2 -0.3143 -0.6010 0.0435   -0.5562 -0.3881 0.0435
N3 -0.3143 1.8715 -0.1232   1.8963 -0.0739 -0.1232
N4 0.3143 -1.8715 -0.1232   -1.8963 0.0739 -0.1232
H5 1.4178 0.6495 0.0500   0.4641 1.4889 0.0500
H6 -1.4178 -0.6495 0.0500   -0.4641 -1.4889 0.0500
H7 -1.3377 1.7977 -0.0347   1.9531 -1.0984 -0.0347
H8 1.3377 -1.7977 -0.0347   -1.9531 1.0984 -0.0347
H9 0.0053 2.5476 0.5866   2.5263 0.3290 0.5866
H10 -0.0053 -2.5476 0.5866   -2.5263 -0.3290 0.5866
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3564 1.4273 2.4781 1.1047 2.1363 2.0413 2.6091 2.0445 3.2110
C2 1.3564 2.4781 1.4273 2.1363 1.1047 2.6091 2.0413 3.2110 2.0445
N3 1.4273 2.4781 3.7954 2.1269 2.7574 1.0299 4.0249 1.0311 4.4864
N4 2.4781 1.4273 3.7954 2.7574 2.1269 4.0249 1.0299 4.4864 1.0311
H5 1.1047 2.1363 2.1269 2.7574 3.1190 2.9863 2.4500 2.4261 3.5405
H6 2.1363 1.1047 2.7574 2.1269 3.1190 2.4500 2.9863 3.5405 2.4261
H7 2.0413 2.6091 1.0299 4.0249 2.9863 2.4500 4.4816 1.6589 4.5873
H8 2.6091 2.0413 4.0249 1.0299 2.4500 2.9863 4.4816 4.5873 1.6589
H9 2.0445 3.2110 1.0311 4.4864 2.4261 3.5405 1.6589 4.5873 5.0952
H10 3.2110 2.0445 4.4864 1.0311 3.5405 2.4261 4.5873 1.6589 5.0952
Maximum atom distance is 5.0952Å 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 125.787 C2 C1 N3 125.787
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.123 C1 N3 H7 111.332
C1 N3 H9 111.519 C2 C1 H5 120.123
C2 N4 H8 111.332 C2 N4 H10 111.519
N3 C1 H5 113.674 N4 C2 H6 113.674
H7 N3 H9 107.207 H8 N4 H10 107.207

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