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5,17-Dibromo-26,28-dihy­droxy-25,27-diprop­oxy-2,8,14,20-tetra­thia­calix[4]arene

In the title compound, C(30)H(26)Br(2)O(4)S(4), the thia­calix[4]arene unit adopts a pinched cone conformation, with one of the ether-substituted rings bent towards the calix cavity and the two phenolic rings bent outwards. The phenyl rings make dihedral angles of 27.12 (9), 36.71 (10), 75.04 (8), a...

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Detalles Bibliográficos
Autores principales: Liu, Ling-Ling, Chen, Lu-Sheng, Ma, Jian-Ping, Guo, Dian-Shun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089239/
https://www.ncbi.nlm.nih.gov/pubmed/21754428
http://dx.doi.org/10.1107/S1600536811013043
Descripción
Sumario:In the title compound, C(30)H(26)Br(2)O(4)S(4), the thia­calix[4]arene unit adopts a pinched cone conformation, with one of the ether-substituted rings bent towards the calix cavity and the two phenolic rings bent outwards. The phenyl rings make dihedral angles of 27.12 (9), 36.71 (10), 75.04 (8), and 76.01 (7)° with the virtual plane defined by the four bridging S atoms. The two opposite ether-substituted rings are almost parallel to each other, with an inter­planar anagle of 2.99 (12)°, while the two phenolic rings are nearly perpendicular to each other, making a dihedral angle of 74.52 (11)° and a Br⋯Br distance of 13.17 (2) Å. Two intra­molecular O—H⋯O hydrogen bonds between the OH groups and the same ether O atom stabilize the cone conformation. In the crystal, two different chains of mol­ecules, one with alternating and the other with tail-to-tail orientations, are formed by inter­molecular offset-face-to-face π–π stacking inter­actions with distances of 3.606 (3) to 4.488 (4) Å between the centroids of the aromatic rings.