Crystal Structure of a Novel Supramolecular Calix[4]arene Derivative with 1D Structure

Abstract

Abstract: Anew calix[4]arene derivative, 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis[2-(methoxycarbonyl)benzyloxy]calix[4]arene was synthesized. The X-ray crystal structure of the title compound has been determined. It crystallizes in the monoclinic with space group C₂/c, a=1.2628(3) nm, b=2.5350(5) nm, c=2.0957(4) nm, β=103.36 (3)°, V=6.528(2) nm³, Z=4, D_c=1.203 g/cm³, F (000)=2488, R=0.1143, wR²=0.2979, Δ ρ_max=0.329× 10³ e/nm³, Δ ρ_min=-0.256× 10³ e/nm³. The crystal structure of the title compound shows that in the molecule there are hydrogen bonds between proximal hydroxyl and ether functional groups [O(H)—O: 0.3004 nm ]. The benzoic ether site in the title molecule may be considered as a π-conjugated system, therefore, the intermolecular π-π interaction exists between two benzoic ether site of the adjacent molecules, which caused the formation of a one dimensional saw-toothed supramolecule.

Key words: Calix[4]arene, Crystal structure, Intermolecular π-&pi, interaction, Supramolecule

CLC Number:

O613

TrendMD:

XING Yan-Jun, DU Chen-Xia, ZHOU Zhi-Xian, WU Yang-Jie . Crystal Structure of a Novel Supramolecular Calix[4]arene Derivative with 1D Structure[J]. Chem. J. Chinese Universities, 2001, 22(5): 783.

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Crystal Structure of a Novel Supramolecular Calix[4]arene Derivative with 1D Structure

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