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31-Benz-yloxy-5,11,17,23,29-penta-tert-butyl-calix[5]arene-32,33,34,35-tetra-ol.

ABSTRACT: The title compound, C62H76O5, known to be one of the most versatile synthetic precursors/inter-mediates of calix[5]arene derivatives, adopts an approximate Cs -symmetric cone-in conformation. The aryl-oxybenzyl ring is tilted in such a way that the p-tert-butyl group fills the macrocycle cavity, while the benzyl group moves away from the cavity axis. In the crystal, this conformational arrangement is secured by intra- and inter-molecular O-H?O hydrogen bonds forming inversion dimers. Four tert-butyl groups are disordered over two orientations, with occupancy ratios of 0.745?(6):0.255?(6), 0.837?(5):0.163?(5), 0.850?(5):0.150?(5) and 0.845?(8):0.155?(8).

SUBMITTER: Gargiulli C

PROVIDER: S-EPMC3589006 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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31-Benz-yloxy-5,11,17,23,29-penta-tert-butyl-calix[5]arene-32,33,34,35-tetra-ol.

Gargiulli Claudia C Gattuso Giuseppe G Notti Anna A Nicoló Francesco F Pappalardo Andrea A

Acta crystallographica. Section E, Structure reports online 20121124 Pt 12

The title compound, C62H76O5, known to be one of the most versatile synthetic precursors/inter-mediates of calix[5]arene derivatives, adopts an approximate Cs -symmetric cone-in conformation. The aryl-oxybenzyl ring is tilted in such a way that the p-tert-butyl group fills the macrocycle cavity, while the benzyl group moves away from the cavity axis. In the crystal, this conformational arrangement is secured by intra- and inter-molecular O-H⋯O hydrogen bonds forming inversion dimers. Four tert-b ...[more]

PMID: 23476242

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