Search results for "supramolecular chemistry"
showing 10 items of 721 documents
Halogen Bonds in 2,5-Dihalopyridine-Copper(I) Halide Coordination Polymers
2019
Two series of 2,5-dihalopyridine-Cu(I)A (A = I, Br) complexes based on 2-X-5-iodopyridine and 2-X-5-bromopyridine (X = F, Cl, Br and I) are characterized by using single-crystal X-ray diffraction analysis to examine the nature of C2&minus
CCDC 1524101: Experimental Crystal Structure Determination
2017
UCUZOK : 6,12,18,24-tetramethoxy-2,8,14,20-tetranonyl-4,10,16,22-tetrahydroxycalix[4]arene propan-2-ol solvate Space Group: P-1, Cell: a 12.27090(10)Å b 13.96500(10)Å c 19.53620(10)Å, α 83.2880(1)° β 89.0250(1)° γ 84.9650(1)° Work published 2017 via Cambridge Crystallographic Data Centre.
CCDC 264161: Experimental Crystal Structure Determination
2017
WEJVOZ : New structure undergoing enhancement. Space Group: P21/c, Cell: a 18.5217(4)Å b 23.2973(6)Å c 21.1118(3)Å, α 90.00° β 96.591(1)° γ 90.00°. Work published 2017 via Cambridge Crystallographic Data Centre.
CCDC 750239: Experimental Crystal Structure Determination
2014
UDUXOI : 2,26,51,54-Tetraethyl-6,24,30,48-tetramethoxy-9,12,15,18,21,33,36,39,42,45-decaoxaheptacyclo[27.19.3.35,25.03,8.022,53.027,32.046,50]tetrapentaconta-1(48),3,5,7,22,24,27,29,31,46,49,52-dodecaene methanol solvate. Work published 2014 via Cambridge Crystallographic Data Centre.
Co-crystals of an agrochemical active – A pyridine-amine synthon for a thioamide group
2011
Five novel co-crystals of thiophanate-ethyl (TE), an agrochemical active, with di(2-pyridyl)ketone (1), 2-benzoylpyridine (2), 3-benzoylpyridine (3), 4-phenylpyridine (4) and biphenyl (5) were found and crystal structures of four of them (TE1–TE3, TE5) solved by single crystal X-ray diffraction. Three of the co-crystals (TE1–TE3) form by way of a reliable pyridine-amine hydrogen bond synthon and one (TE5) because of close packing effects. The fifth co-crystal was identified by X-ray powder diffraction. The work demonstrates the usage of a reliable supramolecular synthon for crystal engineering, while concurrently reminds that the close packing of even very similar molecules cannot be fully …
Steroidal supramolecular metallogels
2020
The review deals with an expanding number of steroidal compounds that are capable of forming a metallogel providing a multitude of novel materials rich in their properties. The future of steroidal metallogels holds a myriad of potential applications as new intelligent materials. Detection of potentially harmful compounds without expensive instrumentation, entrapment of environmentally hazardous substances, and sensitive and selective nanomaterials represent only a few of these potential applications. This article reviews the design, synthesis, characterization, and applications of steroidal metallogels. peerReviewed
6-Methyluracil: a redetermination of polymorph (II)
2019
6-Methyluracil, C5H6N2O2, exists in two crystalline phases: form (I), monoclinic, space group P21/c [Reck et al. (1988). Acta Cryst. A44, 417–421] and form (II), monoclinic, space group C2/c [Leonidov et al. (1993). Russ. J. Phys. Chem. 67, 2220–2223]. The structure of polymorph (II) has been redetermined providing a significant increase in the precision of the derived geometric parameters. In the crystal, molecules form ribbons approximately running parallel to the c-axis direction through N—H...O hydrogen bonds. The radical differences observed between the crystal packing of the two polymorphs may be responsible in form (II) for an increase in the contribution of the polar canonical forms…
Supramolecular Organocatalysis in Water Mediated by Macrocyclic Compounds
2018
In the last decades many efforts have been devoted to design supramolecular organocatalysts able to work in water as the reaction medium. The use of water as solvent provides promising benefits with respect to environmental impact. In this context, macrocyclic compounds played a role of primary importance thanks to their ease of synthesis and their molecular recognition abilities toward the reactants. The aim of this review is to give an overview of the recent advances in the field of supramolecular organocatalysis in water, focusing the attention on calixarene and cyclodextrins derivatives. Calixarenes and cyclodextrins, thanks to their hydrophobic cavities, are able to host selectively th…
Influencing the self‐sorting behavior of [2.2]paracyclophane based ligands by introducing isostructural binding motifs
2020
Two isostructural ligands with either nitrile ( L nit ) or isonitrile ( L iso ) moieties directly connected to a [2.2]paracyclophane backbone with pseudo‐meta substitution pattern have been synthesized. The ligand itself ( L nit ) or its precursors ( L iso ) were resolved via HPLC on a chiral stationary phase and the absolute configuration of the isolated enantiomers was assigned by XRD analysis and/or by comparison of quantum‐chemical simulated and experimental ECD‐spectra. Surprisingly, the resulting metallosupramolecular aggregates formed in solution upon coordination of [(dppp)Pd(OTf) 2 ] differ in their composition: whereas L nit forms dinuclear complexes L iso exclusively forms trinuc…
Synthesis, X-Ray Structure, Tautomerism Aspect, and Chemical Insight of The 3-(1H-Indol-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol
2021
The 3-(1H-indol-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ol 2 was obtained exclusively in the enol configuration starting from triazolyl-indole derivative 1 and alkyl halo-esters in the presence of K2CO3. Chemical structure elucidations with the aid of physicochemical characterizations were used to predict its molecular structure while single crystal X-ray diffraction technique was used to shed the light on the supramolecular structure of 2. DFT calculations agreed very well with the reported X-ray structure where the most stable form thermodynamically is the enol form. Its optimized geometry agreed very well with the experimental structure where the correlation coefficients betwe…