Received 28 March 2012
aInstitute of Physics, AS CR, v.v.i., Na Slovance 2, 182 21 Praha 8, Czech Republic,bInstitute of Chemical Technology, Technická 5, 166 28 Prague 6, Czech Republic,cDepartment of Inorganic Chemistry, Charles University in Prague, Faculty of Natural Sciences, Hlavova 2030/8, Praha, Czech Republic, 128 40, Czech Republic, and dFaculty of Environmental Sciences, Czech University of Life Sciences, Prague, Kamýcká 129, 165 21 Prague 6, Czech Republic
Correspondence e-mail: firstname.lastname@example.org
In the title compound, C90H120O18·2CH3CN, the calixarene has a 1,2,3-alternate conformation and possesses inversion symmetry. It crystallizes as an acetonitrile disolvate, with a half-molecule of calixarene and one molecule of solvent in the asymmetric unit. In the crystal, the two solvent molecules are enclosed in voids between the calixarene molecules. They form weak C-HO hydrogen bonds involving an O atom of the lower rim substituent. The cavity of the calixarene itself is enclosed by two opposite phenol rings, which are turned into the cavity due to the presence of a C-H interaction. The calixarene molecule exhibits disorder of one substituent on its lower rim [occupancy ratio 0.897 (3):0.103 (3)].
For general information about calixarenes, see: Gutsche (2008). For their applications in coordination chemistry, see: Homden & Redshaw (2008); Gibson et al. (1998), in supramolecular chemistry, see: Atwood et al. (2002) and in polymerization, see: Ling et al. (2003). For the synthesis of the title compound, see: McKervey et al. (1985).
Data collection: COLLECT (Hooft, 1998); cell refinement: COLLECT; data reduction: COLLECT and DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006) and ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: publCIF (Westrip, 2010).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SU2398 ).
This project was supported by the Praemium Academiae of the Academy of Science of the Czech Republic, by the Grant Agency of the Academy of Sciences of the CR (project No. IAAX08240901) and by the Grant Agency of the Faculty of Environmental Sciences, Czech University of Life Sciences, Prague (project No. 42900/1312/3114 "Environmental Aspects of Sustainable Development of Society").
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