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1,4-Bis(hex-yloxy)-2,5-diiodo-benzene.

Thevenet D, Neier R, Sereda O, Neels A, Stoeckli-Evans H - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: In the bromo-analogue, these two mean planes are almost coplanar, making a dihedral angle of 4.1 (2)°.Another difference between the crystal structures of the two compounds is that in the title compound there are no halide⋯halide inter-actions.Instead, symmetry-related mol-ecules are linked via C-H⋯π contacts, forming a two-dimensional network.

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ABSTRACT
The centrosymmetric title compound, C(18)H(28)I(2)O(2), crystallized in the monoclinic space group P2(1)/c with the alkyl chains having extended all-trans conformations, similar to those in the centrosymmetric bromo analogue [Li et al. (2008 ▶). Acta Cryst. E64, o1930] that crystallized in the triclinic space group P. The difference between the two structures lies in the orientation of the two alkyl chains with respect to the C(aromatic)-O bond. In the title compound, the O-C(alk-yl)-C(alk-yl)-C(alk-yl) torsion angle is 55.8 (5)°, while in the bromo analogue this angle is -179.1 (2)°. In the title compound, the C-atoms of the alkyl chain are almost coplanar [maximum deviation of 0.052 (5) Å] and this mean plane is inclined to the benzene ring by 50.3 (3)°. In the bromo-analogue, these two mean planes are almost coplanar, making a dihedral angle of 4.1 (2)°. Another difference between the crystal structures of the two compounds is that in the title compound there are no halide⋯halide inter-actions. Instead, symmetry-related mol-ecules are linked via C-H⋯π contacts, forming a two-dimensional network.

No MeSH data available.


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A view of the molecular structure of the title compound, with displacement ellipoids drawn at the 50% probabilty level. Atoms labelled i are related to the other atoms by the symmetry operation -x+1, -y+1, -z.
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Fap1: A view of the molecular structure of the title compound, with displacement ellipoids drawn at the 50% probabilty level. Atoms labelled i are related to the other atoms by the symmetry operation -x+1, -y+1, -z.


1,4-Bis(hex-yloxy)-2,5-diiodo-benzene.

Thevenet D, Neier R, Sereda O, Neels A, Stoeckli-Evans H - Acta Crystallogr Sect E Struct Rep Online (2010)

A view of the molecular structure of the title compound, with displacement ellipoids drawn at the 50% probabilty level. Atoms labelled i are related to the other atoms by the symmetry operation -x+1, -y+1, -z.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2983920&req=5

Fap1: A view of the molecular structure of the title compound, with displacement ellipoids drawn at the 50% probabilty level. Atoms labelled i are related to the other atoms by the symmetry operation -x+1, -y+1, -z.
Bottom Line: In the bromo-analogue, these two mean planes are almost coplanar, making a dihedral angle of 4.1 (2)°.Another difference between the crystal structures of the two compounds is that in the title compound there are no halide⋯halide inter-actions.Instead, symmetry-related mol-ecules are linked via C-H⋯π contacts, forming a two-dimensional network.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The centrosymmetric title compound, C(18)H(28)I(2)O(2), crystallized in the monoclinic space group P2(1)/c with the alkyl chains having extended all-trans conformations, similar to those in the centrosymmetric bromo analogue [Li et al. (2008 ▶). Acta Cryst. E64, o1930] that crystallized in the triclinic space group P. The difference between the two structures lies in the orientation of the two alkyl chains with respect to the C(aromatic)-O bond. In the title compound, the O-C(alk-yl)-C(alk-yl)-C(alk-yl) torsion angle is 55.8 (5)°, while in the bromo analogue this angle is -179.1 (2)°. In the title compound, the C-atoms of the alkyl chain are almost coplanar [maximum deviation of 0.052 (5) Å] and this mean plane is inclined to the benzene ring by 50.3 (3)°. In the bromo-analogue, these two mean planes are almost coplanar, making a dihedral angle of 4.1 (2)°. Another difference between the crystal structures of the two compounds is that in the title compound there are no halide⋯halide inter-actions. Instead, symmetry-related mol-ecules are linked via C-H⋯π contacts, forming a two-dimensional network.

No MeSH data available.


Related in: MedlinePlus