ISSN:
1573-1111
Schlagwort(e):
Bridged calix[4]arene
;
ditopic receptor
;
crystal structure
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract The crystal structures of a new solvate of the ditopic receptor 1,3-calix[4]-bis-crown-6, Bis-C6, and of 1,3-calix[4]-bis-(benzo-crown-6), Bis-benzoC6, are reported. Bis-C6.3 CH3CN (1) crystallizes in the monoclinic space group P21/n, a = 14.388(3), b = 26.947(8), c = 14.707(4) Å, β = 113.19(3)°, V = 5241(5) Å3, Z = 4. Refinement led to a final conventional R value of 0.092 for 2723 reflections. The structure of (1) differs from the previously reported structure of Bis-C6.4 CH3CN by the conformation of one crown either chain. Two acetonitrile molecules are in the close neighbourhood of the crown ether cavities. Bis-benzoC6.3 CH3CN (2) crystallizes in the monoclinic space group P21/c, a = 10.391(4), b = 17.264(11), c = 30.426(9) Å, β = 94.62(3)°, V = 5440(7) Å3, Z = 4. Refinement led to a final conventional R value of 0.106 for 2965 reflections. Two acetonitrile molecules are located near the crown ether cavities, as in (1). One of the crown ether conformations is the same as in the binuclear caesium complex of Bis-benzoC6, supporting the hypothesis of a preorganization of this ligand towards the complexation of this ion; the second crown ether chain is partially disordered.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1023/A:1007990208036
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