Search results for "resorcinarene"
showing 10 items of 166 documents
CCDC 1498390: Experimental Crystal Structure Determination
2016
Related Article: Lotta Turunen, Ulrike Warzok, Rakesh Puttreddy, Ngong Kodiah Beyeh, Christoph A. Schalley, Kari Rissanen|2016|Angew.Chem.,Int.Ed.|55|14033|doi:10.1002/anie.201607789
CCDC 1042084: Experimental Crystal Structure Determination
2015
Related Article: Kaisa Helttunen, Tiia-Riikka Tero, Maija Nissinen|2015|CrystEngComm|17|3667|doi:10.1039/C5CE00311C
CCDC 1938871: Experimental Crystal Structure Determination
2020
Related Article: S. Maryamdokht Taimoory, Kwaku Twum, Mohadeseh Dashti, Fangfang Pan, Manu Lahtinen, Kari Rissanen, Rakesh Puttreddy, John F. Trant, Ngong Kodiah Beyeh|2020|J.Org.Chem.|85|5884|doi:10.1021/acs.joc.0c00220
Inclusion complexes of Cethyl-2-methylresorcinarene and pyridine N-oxides: breaking the C–I⋯−O–N+ halogen bond by host–guest complexation
2016
C ethyl-2-Methylresorcinarene forms host–guest complexes with aromatic N-oxides through multiple intra- and intermolecular hydrogen bonds and C–H⋯π interactions. The host shows conformational flexibility to accommodate 3-methylpyridine N-oxide, while retaining a crown conformation for 2-methyl- and 4-methoxypyridine N-oxides highlighting the substituent effect of the guest. N-Methylmorpholine N-oxide, a 6-membered ring aliphatic N-oxide with a methyl at the N-oxide nitrogen, is bound by the equatorial −N–CH3 group located deep in the cavity. 2-Iodopyridine N-oxide is the only guest that manifests intermolecular N–O⋯I–C halogen bond interactions, which are broken down by the host resulting i…
Complexation of Small Molecules by Open-Ended Resorcarene Hosts
2002
[structure: see text] Sterically hindered tetraaminomethylated resorcarenes form inclusion complexes in CDCl(3) with acetonitrile and acetaldehyde, which are kinetically stable on the NMR time scale at 233 K.
Selective Derivatization of Resorcarenes. 3. C2-Symmetrical and Transcavity Bridged Bis-Benzoxazines Derived from C2v-Symmetrical Tetratosylates
1998
The regioselective condensation of resorcarene tetratosylates 3/4 with formaldehyde and various primary amines readily gives bis-benzoxazines 5/6 in 65−86% yield. The chiral, C2-symmetrical structure of these compounds has been proved by NMR-spectroscopy and single-crystal X-ray analysis. Bis-benzoxazines 5f and 5i assume in the crystalline state a boat conformation in which the two resorcinol rings bearing the oxazine fragments are nearly parallel. The tosylated resorcinol units are horizontally arranged in a propeller-like fashion, and two intramolecular hydrogen bonds are formed between the phenolic hydroxy groups and the oxygens of the neighboring sulfonyl fragments. Molecular mechanics…
Binding abilities of a chiral calix[4]resorcinarene: a polarimetric investigation on a complex case of study
2017
Polarimetry was used to investigate the binding abilities of a chiral calix[4]resorcinarene derivative, bearing L-proline subunits, towards a set of suitably selected organic guests. The simultaneous formation of 1:1 and 2:1 host–guest inclusion complexes was observed in several cases, depending on both the charge status of the host and the structure of the guest. Thus, the use of the polarimetric method was thoroughly revisited, in order to keep into account the occurrence of multiple equilibria. Our data indicate that the stability of the host–guest complexes is affected by an interplay between Coulomb interactions, π–π interactions, desolvation effects and entropy-unfavorable conformatio…
Correlating Solution‐ and Solid‐State Structures of Conformationally Flexible Resorcinarenes: Significance of a Sulfonyl Group in Intramolecular Self…
2020
Abstract The synthesis of tetramethoxyresorcinarene podands bearing p‐toluene arms connected by ‐SO3‐ (1) and ‐CH2O‐ (2) linkers is presented herein. In the solid state, the resorcinarene podand 1 forms an intramolecular self‐inclusion complex with the pendant p‐toluene group of a podand arm, whereas the resorcinarene podand 2 does not show self‐inclusion. The conformations of the flexible resorcinarene podands in solution were investigated by variable‐temperature experiments using 1D and 2D NMR spectroscopic techniques as well as by computational methods, including a conformational search and subsequent DFT optimisation of representative structures. The 1H NMR spectra of 1 and 2 at room te…
Resorcinarene Podand with Amine-Functionalized Side Arms â Synthesis, Structure, and Binding Properties of a Neutral Anion Receptor
2009
The synthesis and structure of a neutral resorcinarene host bearing four amine-functionalized side arms is described. The anion binding properties were investigated in solution by 1H NMR spectroscopic titration and diffusion experiments and in the gas phase by mass spectrometric studies. It was observed that in solution 1:2 (host/guest) complexes were formed between the resorcinarene host and the basic fluoride and acetate anions, whereas in the gas phase 1:1 complexes with other anions (Cl–, HCOO–, NO3–, and BF4–) were detected additionally. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
The role of cation⋯π interactions in capsule formation: co-crystals of resorcinarenes and alkyl ammonium salts
2008
An unprecented dimeric capsular assembly of a tetramethylated C-hexyl resorcinarene and an expected one from unsubstituted C-butyl resorcinarene with tetramethylammonium cation are described. Surprisingly tetramethylated C-hexyl resorcinarene, with no apparent possibility for intra-capsular hydrogen bonds, forms a capsule which is held together solely by the cation⋯π interactions and the complementary geometry of the spherical guest cation and the concave resorcinarene host. The C-butyl resorcinarene capsule, as in the case of dimeric resorcinarene capsules reported earlier, is mediated viasolvent molecules and intra-capsular hydrogen bonds. We also report here two co-crystals of C-methyl r…