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

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.

SUBMITTER: Thevenet D

PROVIDER: S-EPMC2983920 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,4-Dibromo-2,5-bis-(hex-yloxy)benzene.

Project description:In the centrosymmetric title compound, C(18)H(28)Br(2)O(2), the alkyl chains adopt a fully extended all-trans conformation and each of them is almost planar. In addition, the alkyl chains are coplanar with the benzene ring. Inter-molecular Br?Br inter-actions [3.410?(3)?Å] are present, resulting in a one-dimensional supra-molecular architecture.

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1,4-Bis(hex-yloxy)benzene.

Project description:The asymmetric unit of the title compound, C18H30O2, contains one half-mol-ecule situated on an inversion center. The alkyl chain adopts a fully extended all-trans conformation. The C atoms of the alkyl chain are almost coplanar, with a maximum deviation of 0.042?(6)?Å from the mean plane,which is inclined to the central benzene ring by 6.80?(9)°. The crystal packing exhibits no short inter-molecular contacts.

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Project description:The complete molecule of the title compound, C(20)H(32)N(2)O(6), is generated by crystallographic inversion symmetry. The two mutually trans nitro substituents are hence in fully eclipsed conformation and also twisted by 43.2?(2)° with respect to the phenyl ring plane. The benzene-connected portions of the alk-oxy substituents lie almost coplanar with the ring [C-O-C-C torsion angle = 2.0?(2)°]. In the crystal, weak C-H?O interactions link the molecules.

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1,4-Bis(1,1-dimethyl-prop-yl)-2,5-dimeth-oxy-benzene.

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