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5,17-Dibromo-26,28-bis-[(meth-oxy-carbon-yl)meth-oxy]-25,27-diprop-oxy-2,8,14,20-tetra-thia-calix[4]arene.

ABSTRACT: The title thia-calix[4]arene derivative, C(36)H(34)Br(2)O(8)S(4), adopts an unusual pinched cone conformation with the prop-oxy-substituted benzene rings inclined inward [forming a dihedral angle of 33.4?(1)°] and with the brominated benzene rings bent outward, making a dihedral angle of 66.1?(1)°. In the crystal, the mol-ecules form chains along [001] via C-H?S hydrogen bonds and S?S contacts [S?S = 3.492?(3)?Å]. The chains are associated into bilayers through C-H?O hydrogen bonds, generating an R(2) (2)(10) motif.

SUBMITTER: Zhang LJ

PROVIDER: S-EPMC3344486 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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5,17-Dibromo-26,28-bis-[(meth-oxy-carbon-yl)meth-oxy]-25,27-diprop-oxy-2,8,14,20-tetra-thia-calix[4]arene.

Zhang Li-Jing LJ Liu Ling-Ling LL Liu Qi-Kui QK Guo Dian-Shun DS

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

The title thia-calix[4]arene derivative, C(36)H(34)Br(2)O(8)S(4), adopts an unusual pinched cone conformation with the prop-oxy-substituted benzene rings inclined inward [forming a dihedral angle of 33.4 (1)°] and with the brominated benzene rings bent outward, making a dihedral angle of 66.1 (1)°. In the crystal, the mol-ecules form chains along [001] via C-H⋯S hydrogen bonds and S⋯S contacts [S⋯S = 3.492 (3) Å]. The chains are associated into bilayers through C-H⋯O hydrogen bonds, generating a ...[more]

PMID: 22590248

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