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5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate
In the crystal structure of the title compound, C(52)H(36)Br(4)O(12)S(8)·CH(2)Cl(2), the thiacalix[4]arene unit adopts a 1,3-alternate conformation with an intramolecular C—H⋯O hydrogen bond and four C—H⋯π interactions, with the four 4-MeC(6)H(4)SO(3) groups located alternately above and below th...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983853/ https://www.ncbi.nlm.nih.gov/pubmed/21580692 http://dx.doi.org/10.1107/S1600536810009554 |
Sumario: | In the crystal structure of the title compound, C(52)H(36)Br(4)O(12)S(8)·CH(2)Cl(2), the thiacalix[4]arene unit adopts a 1,3-alternate conformation with an intramolecular C—H⋯O hydrogen bond and four C—H⋯π interactions, with the four 4-MeC(6)H(4)SO(3) groups located alternately above and below the virtual plane (R) defined by the four bridging S atoms. The benzene ring of each 4-MeC(6)H(4)SO(3) unit is nearly perpendicular to one of the two neighboring phenol rings with interplanar angles varying from 72.97 (13) to 78.70 (13)°, while the dihedral angles between the plane (R) and the phenol rings range from 83.04 (7) to 84.30 (9)°. In the supramolecular structure, a solvent-bridged dimer composed of two main molecules is formed by four intermolecular C—H⋯O hydrogen bonds and locally creates an R (4) (4)(26) motif. Such dimers associate further into chains by interdimer C—Cl⋯O short contacts [Cl⋯O 3.182 (5) Å]. Finally, these chains are linked into a two-dimensional network by a combination of interchain C—Br⋯O interactions [Br⋯O = 3.183 (3) and 2.966 (4) Å] as well as C—H⋯O hydrogen bonds. |
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