Crystal and molecular structures of binuclear caesium complexes with 1,3-calix[4]-bis-crown-6 and 1,3-calix[4]-bis-benzo-crown-6 |
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Authors: | P Thuéry M Nierlich C Bressot V Lamare J F Dozol Z Asfari J Vicens |
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Institution: | (1) CEA, DSM/DRECAM/SCM, Bât. 125, CE Saclay, 91191 Gif-sur-Yvette, France;(2) CEA. DCC/SEP/SETED CE Cadarache, 13108 Saint-Paul-lez-Durance, France;(3) EHICS, Laboratoire de Chimie Analytique et Minérale, associé au CNRS, 1 rue Blaise Pascal, 67008 Strasbourg, France |
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Abstract: | The crystal structures of two binuclear complexes between caesium and 1,3-calix4]-bis-crowns have been determined. Cs2
Bis-benzoC6(NO3)2. 3CHCl3 (1) in whichBis-benzoC6 is 1,3-calix4]-bis-benzo-crown-6, crystallizes in the orthorhombic system: space groupPca2
1 a=19.513(10),b=15.382(5),c=23.708(9) Å,V=7116(5) Å3,Z=4. Refinement led to a final conventionalR value of 0.065 for 2321 reflections. The structure of (1) is analogous to those already reported withBis-C6, (in whichBis-C6 is, 1,3-calix4]-bis-crown-6) and NO
3
–
as a counter-ion. Cs2
Bis-C6(NCS)2 (2) crystallizes in the monoclinic system: space, groupC2 a=36.57(2),b=11.47(1),c=13.65(1) Å, =109.03(5)°.,V=5415(6) Å3,Z=4. Refinement led to a final conventionalR value of 0.063 for 2227 reflections. Compound (2) is made of dimers bridged by a disordered NCS– ion. The crown ether chain conformations are discussed.
Supplementary data relating to this article (atomic coordinates, anisotropic displacement parameters, bond distances and angles and observed and calculated structure factors) are deposited with the British Library as Supplementary Publication No. SUP 82199 (52 pages). |
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Keywords: | Bridged calix[4]arene caesium complex ditopic receptor crystal structure |
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