Molecular inclusion in calixarenes. XVIII. Crystal and molecular structure of thep-tert-butylcalix[7]arene 1 : 3 pyridine complex/clathrate |
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| Authors: | G D Andreetti F Ugozzoli Yoshiaki Nakamoto Shin-Ichiro Ishida |
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| Institution: | (1) Istituto di Strutturistica Chimica, Università di Parma and Centro di Studio per la Strutturistica Difrattometrica del C.N.R., Viale dell Scienze, 43100 Parma, Italy;(2) Laboratory for Development of Engineering Materials, Faculty of Technology, Kanazawa University, 920 Kanazawa, Japan;(3) Department of Chemistry and Chemical Engineering, Faculty of Technology, Kanazawa University, 920 Kanazawa, Japan |
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| Abstract: | The structure of thep-tert-butylcalix7]arene 1:3 pyridine complex/clathrate (C77H98O7 · 3 C5H5N) has been determined by X-ray crystallography. The crystal data are as follows: monoclinic, space groupP21/c,a = 37.790(4),b = 9.423(2),c = 29.075(4)Å; = 112.74(2)°;V = 8285(3)Å3;Z = 4;D
calc = 1.10 g·cm–3. The hostp-tert-butylcalix7]arene links one pyridine molecule through a hydrogen bond between one of the seven hydroxy groups and the nitrogen of the pyridine. Two other guest molecules have been found in the crystal lattice, so the title compound may be defined as a complex/clathrate hybrid. The unambiguous conformation of the macrocycle is described by an alternative method, which avoids the use of dihedral angles (and the ambiguities in their values).Part XVII. Ref. 2]. |
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| Keywords: | Inclusion compounds crystal structurep-tert-butylcalix[7]arene complex clathrate pyridine conformation hydrogen bonding |
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