Influence of the nature of the solvent of crystallization on X-ray crystal structures of para-azidomethyltetrahydroxy-calix 4 arene

Nadia Dupont (1) , A. Navaza , A. W. Coleman , O. Shkurenko , K. Suwinska

1 CSPBAT - Chimie, Structures et Propriétés de Biomatériaux et d'Agents Thérapeutiques

Three different molecular structures of a para-azidomethyltetrahydroxy-calix[4]arene have been determined by single X-ray diffraction studies on crystals obtained from different solvent conditions. Among them, one structure also contains a water molecule and a toluene molecules although the two others are composed purely of para-azidomethyltetrahydroxy-calix[4]arene molecules. A comparative study of the three crystal structures in relation with solvent conditions and a global study of the azido moieties are presented. (C) 2011 Elsevier B.V. All rights reserved.

Mots clés: Calixarenes; Azides; X-ray crystal structures; Cone conformation; pi-Stacking; CLICK CHEMISTRY; AMINO-ACIDS; CALIXARENE; COMPLEXATION; PROTEIN; WATER; RECOGNITION; AMINOCALIXARENES; ASSOCIATION; DERIVATIVES

Nadia Dupont, A. Navaza, A. W. Coleman, O. Shkurenko, K. Suwinska. Influence of the nature of the solvent of crystallization on X-ray crystal structures of para-azidomethyltetrahydroxy-calix 4 arene. Journal of Molecular Structure, 2011, 991 (1-3), pp.50-59. ⟨10.1016/j.molstruc.2011.01.067⟩. ⟨hal-00705936⟩