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5,11,17,23-Tetra-tert-butyl-25,27-bis-[2-(4-nitro-phen-oxy)eth-oxy]calix[4]arene-26,28-diol acetonitrile tetra-solvate.

Authors :
Yuan JM
Gao YH
Ma JP
Guo DS
Source :
Acta crystallographica. Section E, Structure reports online [Acta Crystallogr Sect E Struct Rep Online] 2009 May 20; Vol. 65 (Pt 6), pp. o1336-7. Date of Electronic Publication: 2009 May 20.
Publication Year :
2009

Abstract

In the crystal structure of the title compound, C(60)H(70)N(2)O(10)·4CH(3)CN, the calix[4]arene mol-ecule adopts an open-cone conformation with two intra-molecular O-H⋯O hydrogen bonds. The four benzene rings of the calix[4]arene are twisted to the mean plane defined by four methyl-ene C atoms bridging the benzene rings, with dihedral angles ranging from 57.74 (10) to 65.99 (12)°. Two pendant nitro-phenyl 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 mol-ecules, one of which lies in the calix cavity and makes C-H⋯π inter-actions 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.

Details

Language :
English
ISSN :
1600-5368
Volume :
65
Issue :
Pt 6
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Structure reports online
Publication Type :
Academic Journal
Accession number :
21583190
Full Text :
https://doi.org/10.1107/S1600536809018212