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Tri-cyclo-[3.3.1.0(3,7)]nonane-3,7-diyl bis-(4-methyl-benzene-sulfonate).

ABSTRACT: The title compound, C23H26O6S2 was synthesized by esterification of tri-cyclo-[3.3.1.0(3,7)]nonane-3,7-diol with p-toluene-sulfonyl chloride. The mol-ecule has symmetry 2 and is situated on site 4e. The C-C bond length between the quartenary C atoms is 1.598?(2)?Å, which is considerably longer than other C-C bonds in the mol-ecule. There are C-H?O inter-actions present in the structure. As a consequence, the packing of the molecule (viewed along [100]) appears as chains where the molecules run parallel, but each chain has the opposite direction to the neighboring ones.

SUBMITTER: Ioannou S

PROVIDER: S-EPMC3884498 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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Tri-cyclo-[3.3.1.0(3,7)]nonane-3,7-diyl bis-(4-methyl-benzene-sulfonate).

Ioannou Savvas S Moushi Eleni E

Acta crystallographica. Section E, Structure reports online 20130823 Pt 9

The title compound, C23H26O6S2 was synthesized by esterification of tri-cyclo-[3.3.1.0(3,7)]nonane-3,7-diol with p-toluene-sulfonyl chloride. The mol-ecule has symmetry 2 and is situated on site 4e. The C-C bond length between the quartenary C atoms is 1.598 (2) Å, which is considerably longer than other C-C bonds in the mol-ecule. There are C-H⋯O inter-actions present in the structure. As a consequence, the packing of the molecule (viewed along [100]) appears as chains where the molecules run p ...[more]

PMID: 24427087

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Project description:In the title compound, 2C(14)H(14)N(+)·C(6)H(4)ClO(3)S(-)·I(-), each cation exists in an E configuration with respect to the ethenyl bond. The dihedral angle between the pyridinium and benzene rings is 3.98?(6)° in one of the cations and 9.88?(7)° in the other. The two cations are arranged in an anti-parallel manner with ?-? inter-actions between pyridinium and benzene rings [centroid-centroid distance = 3.5805?(8)?Å]. The benzene ring of the anion makes dihedral angles of 61.20?(6) and 64.25?(6)° with the pyridinium rings of the two cations. In the crystal, the cations are stacked in an anti-parallel manner along the a axis, while the anions are linked into chains along the same direction. The ions are linked into a three-dimensional network by C-H?I and C-H?O hydrogen bonds and C-H?? inter-actions. The crystal under investigation was an inversion twin, with a ratio of 61.7?(5):38.3?(5) for the two components.

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