Inclusion of water by a crown amide. First crystal structure of a respective host-guest combination |
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| Authors: | Edwin Weber George R. Newkome Frank R. Fronczek Sybille Franken |
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| Affiliation: | (1) Institut für Organische chemie und Biochemie der Universität Bonn, Gerhard-Domagk-Strasse 1, D-5300 Bonn-1, F.R.G.;(2) Department of Chemistry, Louisiana State University, 70803 Baton Rouge, LA, USA;(3) Department of Chemical Physics, RUG, Nijenborgh 16, 9747 AG Groningen, The Netherlands |
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| Abstract: | Crown amide (1) forms a stoicheiometric 1:1 inclusion complex with water, the X-ray crystal structure of which is reported. Crystals of1 · H2O are triclinic, space groupP1, witha=7.503(1),b=11.394(3),c=13.443(2) Å,  =107.066(18),  =96.627(10),  =106.377(14)°, andZ=2.RF=0.039 for 1697 MoK reflections [I>3 (I)] measured at 24°C. The structure features a hydrogen bonded hostguest relationship with concrete1 · H2O units. Hydrogen bonds are between the water oxygen and O(4), N(4), respectively. The crystal packing shows a cavity arrangement of four ligands around each water molecule.Supplementary Data relating to this article are deposited with the British Library as Supplementary Publication No. SUP 82055 (16 pages). |
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| Keywords: | Crown amide host-guest complex water inclusion crystal structure hydrogen bonding |
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