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5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexa­kis­(eth­oxy­carbonyl­meth­oxy)calix[6]arene acetonitrile disolvate

In the title compound, C(90)H(120)O(18)·2CH(3)CN, 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 s...

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Detalles Bibliográficos
Autores principales: Pojarová, Michaela, Dušek, Michal, Budka, Jan, Císařová, Ivana, Makrlík, Emanuel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344542/
https://www.ncbi.nlm.nih.gov/pubmed/22590304
http://dx.doi.org/10.1107/S1600536812015735
Descripción
Sumario:In the title compound, C(90)H(120)O(18)·2CH(3)CN, 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)].