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25,26,27,28-Tetra-kis(3-bromo-benzyl-oxy)calix[4]arene.

ABSTRACT: In the title compound, C(56)H(44)Br(4)O(4), the calix[4]arene unit displays the 1,2-alternate conformation with crystallograpically imposed inversion symmetry. The four phen-oxy rings of the calix[4]arene unit are twisted about the mean plane defined by the four methyl-ene C atoms bridging the benzene rings, with dihedral angles of 46.73?(6) and 66.11?(5)°. The dihedral angle between adjacent phen-oxy rings is 74.75?(7)°. The two pendant bromo-phenyl rings on the same side of the calix[4]arene unit are nearly perpendicular to each other, with a dihedral angle of 72.85?(10)° due to an intra-molecular C-H?? inter-action. In the crystal, a Br?Br contact of 3.6350?(5)?Å, an inter-molecular C-H?Br hydrogen bond and an inter-molecular C-H?? inter-action are observed.

SUBMITTER: Lee E

PROVIDER: S-EPMC3151756 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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25,26,27,28-Tetra-kis(3-bromo-benzyl-oxy)calix[4]arene.

Lee Eunji E Moon Suk-Hee SH Kim Tae Ho TH Park Ki-Min KM

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

In the title compound, C(56)H(44)Br(4)O(4), the calix[4]arene unit displays the 1,2-alternate conformation with crystallograpically imposed inversion symmetry. The four phen-oxy rings of the calix[4]arene unit are twisted about the mean plane defined by the four methyl-ene C atoms bridging the benzene rings, with dihedral angles of 46.73 (6) and 66.11 (5)°. The dihedral angle between adjacent phen-oxy rings is 74.75 (7)°. The two pendant bromo-phenyl rings on the same side of the calix[4]arene u ...[more]

PMID: 21837108

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