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5,11,17,23-Tetra-kis(chloro-meth-yl)-25,26,27,28-tetra-propoxycalix[4]arene.

ABSTRACT: The title calix[4]arene, C(44)H(52)Cl(4)O(4), displays the 1,3-alternate conformation with crystallographically imposed twofold symmetry. Four phenolic rings of the calixarene backbone are tilted into the calix cavity, making dihedral angles of 77.42 (2) and 77.71 (2)° with the plane of the four bridging methyl-ene C atoms. Pairs of opposite aromatic rings make dihedral angles of 25.16 (3) and 24.58 (4)° with each other. In the crystal, the calixarene mol-ecules pack with the formation of infinite columns along the b axis. The crystal packing shows a network of C-H⋯Cl contacts, which can be considered as non-classical hydrogen bonds.

SUBMITTER: Kutter F

PROVIDER: S-EPMC3052014 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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5,11,17,23-Tetra-kis(chloro-meth-yl)-25,26,27,28-tetra-propoxycalix[4]arene.

Kutter Felix F Düker Matthias H MH Zeller Matthias M Azov Vladimir A VA

Acta crystallographica. Section E, Structure reports online 20110226 Pt 3

The title calix[4]arene, C(44)H(52)Cl(4)O(4), displays the 1,3-alternate conformation with crystallographically imposed twofold symmetry. Four phenolic rings of the calixarene backbone are tilted into the calix cavity, making dihedral angles of 77.42 (2) and 77.71 (2)° with the plane of the four bridging methyl-ene C atoms. Pairs of opposite aromatic rings make dihedral angles of 25.16 (3) and 24.58 (4)° with each other. In the crystal, the calixarene mol-ecules pack with the formation of infini ...[more]

PMID: 21522470

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