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

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1716. doi: 10.1107/S1600536811022975. Epub 2011 Jun 18.

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⋯π 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⋯π inter-action are observed.