caa a22 4500 469059907 CHVBK 20180323132854.0 cr unu---uuuuu 170328e19920901xx s 000 0 eng 10.1007/BF01045993 doi (NATIONALLICENCE)springer-10.1007/BF01045993 The crystal structure of the syn-proximal-5,11,17,23-tetra- tert -butyl-25,26-bis[(2-pyridylmethyl)oxy]-27,28-dihydroxy-calix[4]arene ethanol 1 [Elektronische Daten] 1 Inclusion Complex [George Ferguson, John Gallagher, Sebastiano Pappalardo] The crystal structure of the title compound (1 · C2H5OH) has been determined by single-crystal X-ray analysis and refined to anR-value of 0.074 for 2732 observed reflections [I > 2.0σ(I)]. Crystals are triclinic, space group P $$\bar 1$$ , witha = 13.6150(18),b = 13.7195(11),c = 16.5497(16) Å, α = 73.132(7),β = 66.165(9), γ = 65.580(8)° andZ = 2. Calix[4]arene (1) adopts a relatively open distorted cone conformation in the solid state, with two pendantsyn-proximal O-CH2-Py groups. The major conformation determining features in (1 · C2H5OH) are the presence of (a) an intramolecular O-H...O hydrogen bond between adjacent proximal phenolic oxygens, O...O 2.719(7) Å and (b) an intramolecular O-H...N hydrogen bond between a phenolic oxygen and a proximal pyridinyl nitrogen, O...N 2.810(8) Å. The intramolecular hydrogen bonding and the interplanar angles of 65.1(3) and 50.7(3)° between opposite aromatic rings facilitate the inclusion of an ethanol molecule within the calixarene cup. Kluwer Academic Publishers, 1992 1,2-Dialkylated calix[4]arene nationallicence crystal structure nationallicence ethanol inclusion complex nationallicence intramolecular hydrogen bonding patterns nationallicence Ferguson George Department of Chemistry and Biochemistry, University of Guelph, N1G 2W1, Guelph, Ontario, Canada aut Gallagher John Department of Chemistry and Biochemistry, University of Guelph, N1G 2W1, Guelph, Ontario, Canada aut Pappalardo Sebastiano Dipartimento di Scienze Chimiche, Università di Catania, Viale A. Doria 8, 95125, Catania, Italy aut Journal of inclusion phenomena and molecular recognition in chemistry Kluwer Academic Publishers 14/3-4(1992-09-01), 349-356 0923-0750 14:3-4<349 1992 14 10847 https://doi.org/10.1007/BF01045993 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01045993 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Ferguson George Department of Chemistry and Biochemistry, University of Guelph, N1G 2W1, Guelph, Ontario, Canada aut NATIONALLICENCE 700 1- Gallagher John Department of Chemistry and Biochemistry, University of Guelph, N1G 2W1, Guelph, Ontario, Canada aut NATIONALLICENCE 700 1- Pappalardo Sebastiano Dipartimento di Scienze Chimiche, Università di Catania, Viale A. Doria 8, 95125, Catania, Italy aut NATIONALLICENCE 773 0- Journal of inclusion phenomena and molecular recognition in chemistry Kluwer Academic Publishers 14/3-4(1992-09-01), 349-356 0923-0750 14:3-4<349 1992 14 10847 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer