Abstract
In the title compound, C90H120O18·2CH3CN, the calix[6]arene has a 1,2,3-alternate conformation and possesses inversion symmetry. It crystallizes as an acetonitrile disolvate, with a half-molecule of calix[6]arene and one molecule of solvent in the asymmetric unit. In the crystal, the two solvent molecules are enclosed in voids between the calix[6]arene molecules. They form weak C—H⋯O hydrogen bonds involving an O atom of the lower rim substituent. The cavity of the calix[6]arene itself is enclosed by two opposite phenol rings, which are turned into the cavity due to the presence of a C—H⋯π interaction. The calix[6]arene molecule exhibits disorder of one substituent on its lower rim [occupancy ratio 0.897 (3):0.103 (3)].
Highlights
In the title compound, C90H120O182CH3CN, the calix[6]arene has a 1,2,3-alternate conformation and possesses inversion symmetry
It crystallizes as an acetonitrile disolvate, with a half-molecule of calix[6]arene and one molecule of solvent in the asymmetric unit
The two solvent molecules are enclosed in voids between the calix[6]arene molecules
Summary
Cısařovác and Emanuel Makrlıkd a Institute of Physics, AS CR, v.v.i., Na Slovance 2, 182 21 Praha 8, Czech Republic, Institute of Chemical Technology, Technická 5, 166 28 Prague 6, Czech Republic, c. C90H120O182CH3CN, the calix[6]arene has a 1,2,3-alternate conformation and possesses inversion symmetry. It crystallizes as an acetonitrile disolvate, with a half-molecule of calix[6]arene and one molecule of solvent in the asymmetric unit. The two solvent molecules are enclosed in voids between the calix[6]arene molecules. They form weak C—H O hydrogen bonds involving an O atom of the lower rim substituent.
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