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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=

B2PLYP=FULL/3-21G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3151 0.5931 0.0402   0.6286 0.2365 0.0402
C2 -0.3151 -0.5931 0.0402   -0.6286 -0.2365 0.0402
N3 -0.3151 1.8610 -0.0957   1.8052 -0.5509 -0.0957
N4 0.3151 -1.8610 -0.0957   -1.8052 0.5509 -0.0957
H5 1.4005 0.6334 0.0486   0.8077 1.3078 0.0486
H6 -1.4005 -0.6334 0.0486   -0.8077 -1.3078 0.0486
H7 -1.3298 1.8321 -0.1650   1.6466 -1.5536 -0.1650
H8 1.3298 -1.8321 -0.1650   -1.6466 1.5536 -0.1650
H9 0.0132 2.5801 0.5447   2.5606 -0.3176 0.5447
H10 -0.0132 -2.5801 0.5447   -2.5606 0.3176 0.5447
Atom - Atom Distances (Å)
  C1 C2 N3 N4 H5 H6 H7 H8 H9 H10
C1 1.3431 1.4223 2.4578 1.0863 2.1089 2.0695 2.6369 2.0722 3.2298
C2 1.3431 2.4578 1.4223 2.1089 1.0863 2.6369 2.0695 3.2298 2.0722
N3 1.4223 2.4578 3.7749 2.1144 2.7242 1.0175 4.0434 1.0174 4.4972
N4 2.4578 1.4223 3.7749 2.7242 2.1144 4.0434 1.0175 4.4972 1.0174
H5 1.0863 2.1089 2.1144 2.7242 3.0742 2.9895 2.4758 2.4414 3.5457
H6 2.1089 1.0863 2.7242 2.1144 3.0742 2.4758 2.9895 3.5457 2.4414
H7 2.0695 2.6369 1.0175 4.0434 2.9895 2.4758 4.5276 1.6932 4.6589
H8 2.6369 2.0695 4.0434 1.0175 2.4758 2.9895 4.5276 4.6589 1.6932
H9 2.0722 3.2298 1.0174 4.4972 2.4414 3.5457 1.6932 4.6589 5.1604
H10 3.2298 2.0722 4.4972 1.0174 3.5457 2.4414 4.6589 1.6932 5.1604
Maximum atom distance is 5.1604Å 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 125.408 C2 C1 N3 125.408
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.106 C1 N3 H7 115.025
C1 N3 H9 115.281 C2 C1 H5 120.106
C2 N4 H8 115.025 C2 N4 H10 115.281
N3 C1 H5 114.224 N4 C2 H6 114.224
H7 N3 H9 112.625 H8 N4 H10 112.625

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