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5,11,17,23-Tetra-tert-butyl-25,27-bis­[2-(4-nitro­phen­oxy)eth­oxy]calix[4]arene-26,28-diol acetonitrile tetra­solvate

In the crystal structure of the title compound, C(60)H(70)N(2)O(10)·4CH(3)CN, the calix[4]arene mol­ecule adopts an open-cone conformation with two intra­molecular O—H⋯O hydrogen bonds. The four benzene rings of the calix[4]arene are twisted to the mean plane defined by four methyl­ene C atoms bridg...

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Detalles Bibliográficos
Autores principales: Yuan, Jiu-Mao, Gao, Yong-Hong, Ma, Jian-Ping, Guo, Dian-Shun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969685/
https://www.ncbi.nlm.nih.gov/pubmed/21583190
http://dx.doi.org/10.1107/S1600536809018212
Descripción
Sumario:In the crystal structure of the title compound, C(60)H(70)N(2)O(10)·4CH(3)CN, the calix[4]arene mol­ecule adopts an open-cone conformation with two intra­molecular O—H⋯O hydrogen bonds. The four benzene rings of the calix[4]arene are twisted to the mean plane defined by four methyl­ene C atoms bridging the benzene rings, with dihedral angles ranging from 57.74 (10) to 65.99 (12)°. Two pendant nitro­phenyl rings are nearly perpendicular to each other, the dihedral angle being 70.9 (3)°. The asymmetric unit of the crystal structure contains four acetonitrile solvent mol­ecules, one of which lies in the calix cavity and makes C—H⋯π inter­actions and another links with the calix[4]arene via C—H⋯O hydrogen bonding. One tert-butyl group is disordered over two sets of sites, with a 0.736 (13):0.264 (13) occupancy ratio.