Article

Dibenzo-18-crown-6.

Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 10/2008; 64(Pt 10):o2001. DOI: 10.1107/S1600536808030250
Source: PubMed

ABSTRACT The asymmetric unit of the title compound, C(20)H(24)O(6), contains two mol-ecules that are identical within standard deviations concerning bond lengths and angles as well as their conformations. In the crystal structure, weak C-H⋯O inter-actions help to consolidate the packing.

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    ABSTRACT: The co-crystal, C7H9N4O2 (+)·ClO4 (-)·C20H24O6·3.25H2O, consists of theobrominium (3,7-di-methyl-2,6-dioxo-1H-purin-9-ium) cations, perchlorate anions and dibenzo-18-crown-6 and water mol-ecules. The crown ether is in a bent conformation, in which the planes of the aromatic rings subtend an angle of 63.7 (1)°. Inter-molecular O-H⋯O hydrogen bonding between the water mol-ecules and the O atoms of the cyclic ether delimit an empty space reminiscent of a hollow cage. The water mol-ecules are additionally linked to the cations by N-H⋯O hydrogen bonding. One of the positions of the water molecules is occupied only fractionally (25%) and is located outside this framework.
    Acta Crystallographica Section E Structure Reports Online 07/2013; 69(Pt 7):o1027. · 0.35 Impact Factor

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