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25,26,27,28-Tetra-butoxy-5,11,17,23-tetra-tert-butyl-calix[4]arene chloro-form tetra-solvate dihydrate.

ABSTRACT: The title compound, C(60)H(88)O(4)·4CHCl(3)·2H(2)O, is the alkyl-ated product of 5,11,17,23-tetra-tert-butyl-calix[4]arene. It adopts a distorted cone conformation which leads to an open cavity. All the phenolic rings are tilted so that their tert-butyl groups are pitched away from the calix cavity. Two opposite aromatic rings are close to being perpendicular to one another [dihedral angle 85.0?(2)°], while the other pair of opposite rings is almost parallel [dihedral angle 8.1?(2)°], and adjacent phenolic rings are almost perpendicular [dihedral angles 82.4?(1) or 87.9?(1)°]. In the crystal, the water molecule and calixarene interact by way of O-H?O hydrogen bonds.

SUBMITTER: Li Z

PROVIDER: S-EPMC2969488 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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25,26,27,28-Tetra-butoxy-5,11,17,23-tetra-tert-butyl-calix[4]arene chloro-form tetra-solvate dihydrate.

Li Zhengyi Z Yuan Dinghao D Xi Haitao H Sun Xiaoqiang X

Acta crystallographica. Section E, Structure reports online 20090627 Pt 7

The title compound, C(60)H(88)O(4)·4CHCl(3)·2H(2)O, is the alkyl-ated product of 5,11,17,23-tetra-tert-butyl-calix[4]arene. It adopts a distorted cone conformation which leads to an open cavity. All the phenolic rings are tilted so that their tert-butyl groups are pitched away from the calix cavity. Two opposite aromatic rings are close to being perpendicular to one another [dihedral angle 85.0 (2)°], while the other pair of opposite rings is almost parallel [dihedral angle 8.1 (2)°], and adjace ...[more]

PMID: 21582951

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