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Crystal Structure of a p-Benzylcalix[5]arene- pyridine Complex
Authors:Pierre Thuéry  Martine Nierlich  Bahari Souley  Zouhair Asfari  Jacques Vicens
Institution:(1) CEA/Saclay, SCM (CNRS URA 331), Bât. 125, 91191 Gif-sur-Yvette, France;(2) Laboratoire de Chimie des Interactions Moléculaires Spécifiques (CNRS URA 405), ECPM, 1 rue Blaise Pascal, 67008 Strasbourg, France
Abstract:p-Benzylcalix5]arene.3py (py = pyridine) (1) crystallizes in the triclinic space group P1, a = 10.641(3), b = 13.975(3), c = 24.052(12) Å, agr = 94.60(4), beta = 91.51(4), gamma = 111.46(2)°, V = 3312(4) Å3, Z = 2. Refinement led to a final conventional R value of 0.065 for 5457 reflections. The calixarene is in a distorted cone conformation. Two pyridine molecules are hydrogen bonded to phenolic oxygen atoms and one of them is included in the hydrophobic cavity of the neighboring calixarene molecule along the a axis.
Keywords:calixarenes  crystal structure  supramolecular assembly
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