Tetraundecylpentacyclooctacosadodecaenoctol Tetraethanol Solvate, (I), and Tetraundecylpentacyclooctacosadodecaenedodecol Hydrate 2.5-Ethanol Solvate, (II)

Autor:	F. Davis, Harry Adams, D. E. Hibbs, C.J.M. Stirling, K. M. A. Malik, Michael B. Hursthouse
Rok vydání:	1998
Předmět:	chemistry.chemical_classification Hydrogen bond Chemistry Stereochemistry General Medicine Crystal structure Resorcinarene General Biochemistry Genetics and Molecular Biology Crystal symbols.namesake Crystallography symbols Molecule van der Waals force Hydrate Alkyl
Zdroj:	Acta Crystallographica Section C Crystal Structure Communications. 54:987-992
ISSN:	0108-2701
DOI:	10.1107/s0108270197019689
Popis:	The X-ray crystal structures for the title compounds, (I) (C72H112O8.4C2H6O) and (II) (C72H112O12.2.5C2H6O.H2O) (also called alkyl calix[4]resorcinarene and calix[4]pyrogallene, respectively), have been determined. The `legs' of the long alkyl chains on both compounds are deeply interdigitated and this observation accounts for the spontaneous formation of multilayers of such molecules. Both compounds are in a cone conformation in the crystal with very similar geometry parameters. The arrangement of the molecules in the crystal is also similar, with the long alkyl chains lying nearly parallel to the c axis and with `bowl'-to-`bowl' interactions being effected through van der Waals forces and hydrogen bonds involving solvate molecules [ethanol in the case of (I), and ethanol and water in the case of (II)].
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::6124f5cb50cef063b1b7073de08a10de https://doi.org/10.1107/s0108270197019689 Zobrazit plný text záznamu Plný text