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2-(4-Bromo-benz-yl)-5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra-methoxy-calix[4]arene.

ABSTRACT: In the title compound, C(55)H(69)BrO(4), the calixarene mol-ecule displays a 'partial cone' conformation bearing the lateral substituent in a sterically favorable equatorial arrangement between two syn-orientated arene units. The crystal packing is stabilized by weak C-H?? contacts, involving one tert-butyl group, and ?-stacking inter-actions of the lateral bromo-benzene units [centroid-centroid distance = 3.706?(1)?Å].

SUBMITTER: Fischer C

PROVIDER: S-EPMC2969344 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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2-(4-Bromo-benz-yl)-5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra-methoxy-calix[4]arene.

Fischer Conrad C Lin Guisheng G Seichter Wilhelm W Weber Edwin E

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

In the title compound, C(55)H(69)BrO(4), the calixarene mol-ecule displays a 'partial cone' conformation bearing the lateral substituent in a sterically favorable equatorial arrangement between two syn-orientated arene units. The crystal packing is stabilized by weak C-H⋯π contacts, involving one tert-butyl group, and π-stacking inter-actions of the lateral bromo-benzene units [centroid-centroid distance = 3.706 (1) Å]. ...[more]

PMID: 21582956

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