Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

metal-organic compounds

bg2501 scheme

Acta Cryst. (2013). E69, m236-m237    [ doi:10.1107/S1600536813007757 ]

[5,11,17,23-Tetra-tert-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide-1,2,4,5-tetrafluoro-3,6-diiodobenzene-methanol (2/3/4)

G. Cavallo, P. Metrangolo, M. F. Parisi, T. Pilati, G. Resnati and G. Terraneo

Abstract: The title compound, [Na(C62H76N2O6)]I·1.5C6F4I2·2CH3OH, is composed of five components: a calix[4]arene derivative (hereinafter C4), a sodium cation, an iodide anion, a 1,2,4,5-tetrafluoro-3,6-diiodobenzene (tFdIB) molecule and a methanol molecule in a 1:1:1:1.5:2 ratio. The complex shows several interesting features: (i) the polyoxygenated loop of C4 effectively chelates a sodium cation in the form of a distorted octahedron and separates it from the iodide counter-ion, the shortest Na+...I- distance being greater than 6.5 Å; (ii) the cavity of C4 is filled by a methanol molecule; (iii) a second methanol molecule is hydrogen-bonded to the N atom of a pyridinyl substituent pendant of C4 and halogen-bonded to the I atom of a tFdIB molecule; (iv) the two I atoms of another tFdIB molecule are halogen-bonded to two iodide anions, which act as monodentate halogen-bond acceptorss; (v) one of the two tFdIB molecules is located about a centre of inversion.

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813007757/bg2501sup0.html ]
Supplementary materials


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster