Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)

In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methyl­phen­yl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis­(2,5-dichloro-4-hy­droxy-3,6-dioxo­cyclo­hexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihy­droxy­cyclo­hexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)}, C19H24N2 2+·2C6HCl2O4 −·0.5C6H2Cl2O4·CH3OH·H2O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid mol­ecule is on an inversion symmetry element and its hy­droxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent mol­ecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O inter­actions link the components. The crystal structure also features π–π inter­actions between the benzene rings [centroid–centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å]

Water and tris(5-acetyl-3-thienyl)methane (TATM) assemble into a one-dimensional channel compound

Tris(5-acetyl-3-thienyl)methane (TATM), a well known hydrophobic host compound, assembles with water molecules into a material with one-dimensional channels that also contain water.NRC publication: Ye

Non-covalent polymerisation in the solid state: halogen-halogen vs. methyl-methyl interactions in the complexes of 2,4-di(2-pyridyl)-1,3,5-triazine ligands

Fe(ii), Co(ii), Ni(ii) and Cu(ii) complexes based on the triazine ligand 2,4-di(2[prime or minute]-pyridyl)-6-(p-bromo-phenyl)-1,3,5-triazine have been synthesised and characterised. The electrochemical, magnetic and spectroscopic properties of the complexes have also been investigated, and the electron deficient triazine ligand has been shown to affect each of these properties. Further investigation of solid state structures of the ligand and its Fe(ii), Co(ii) and Cu(ii) complexes has established that stabilising Br-Br interactions exist which link neighbouring molecules to form one-dimensional tapes. A slight modification of the ligand, i.e., using 2,4-di(2[prime or minute]-pyridyl)-6-(p-methylphenyl)-1,3,5-triazine, in which the phenyl substituent has changed from a bromine to a methyl group, eliminates the one-dimensional tape and gives rise to significant [small pi]-stacking interactions in the solid state.NRC publication: Ye

Polymorphism and Structure in a Pentamorphic Guest-Host Material: The Tris(5-acetyl-3-thienyl) Methane (TATM) Inclusion Compound with 1,3-Dichloropropane

In this work, we describe the preparation and structural properties of five polymorphs of the 1G:2H, 1,3-dichloropropane/tris (5-acetyl-3-thienyl) methane (TATM) inclusion compound. A number of different preparative methods were used to give products whose structures were solved by single-crystal X-ray diffraction. In addition, solid-state 13C NMR spectroscopy and powder X-ray diffraction (PXRD) were used for bulk phase identification. On the basis of the unit cell parameters determined from single crystal X-ray diffraction experiments, the PXRD results were used to resolve the products as being from either pure or mixed phases. In four of the five forms, the host TATM molecules have similar torsional conformations and share a common layered motif. The guest molecules are disordered and reside in cages or channels that are formed from the stacking of these layers. In the fifth form, the conformation of the TATM host molecules differ significantly, and the disordered guests reside in a pronounced zigzag channel. Apparently, slightly different conformations for the host and the flexile guest give structures that differ little in energy. The results suggest that minor changes in synthetic procedures can have a profound effect on the structure of the resulting crystalline product. Some of the structures presented here are closely related to other structures previously reported for TATM inclusion compounds with a variety of guests, suggesting that this may be a particularly rich area for studying polymorphism.NRC publication: Ye

Phototransformation of stilbene in van der Waals nanocapsules

We have utilized para-hexanoylcalix[4]arene nanocapsules as hosts to carry out phototransformations of cis- and trans-stilbene. Single-crystal X-ray diffraction studies were performed to define precisely the location of encapsulated stilbenes inside the capsule and to analyze possible pathways of phototransformation. cis-Stilbene stacks as a \u3c0\u2013\u3c0 dimer located at the center of the capsule, whereas trans-stilbene does not form such a dimer. Irradiation of the crystalline inclusion complexes of each isomer of stilbene in the solid state leads to the appearance of the second isomer, and after prolonged photolysis, photodimerization also occurs. syn-Tetraphenylcyclobutane is formed as the major product of dimerization and its yield depends on the time and intensity of irradiation. In most cases, the single crystals of the complexes remain intact during irradiation; hence, the nanocapsules have the potential to serve as robust nanoreactors in the solid state. The confinement in the nanocapsules is sufficient to keep the reacting molecules together, although this is less restrictive than for trans-stilbene crystals, in which the molecules cannot achieve a favorable orientation for dimerization.NRC publication: Ye

Synthesis and transformations of 60-, 62-, and 64-electron Co4(CO)x(PNR2)2 (x = 8, 9, 10) clusters

NRC publication: Ye

Van der Waals nanocapsular complexes of amphiphilic calixarenes

International audiencexx

Photochemical reactions of metal carbonyls [M(CO)(6) (M=Cr, Mo, W), Re(CO)(5)Br, Mn(CO)(3)CP] with 3,5-dimethyl-tetrahydro-2H-1,3,5-thiadiazine-2-thione (DTTT) and the crystal structure of [W(CO)(5)(DTTT)]

WOS: 000184113200009Five new complexes, [M(CO)(5)(DTTT)] [M = Cr; 1, Mo; 2, W; 3], [Re(CO)(4)Br(DTTT)] (4) and [Mn(CO)(2)Cp(DTTT)] (5) have been synthesized by the photochemical reaction of metal carbonyls [M(CO)(6)] (M = Cr, Mo and W), [Re(CO)(5)Br], and [Mn(CO)(3)Cp] with 3,5-dimethyl-tetrahydro-2H-1,3,5-thiadiazine-2-thione (DTTT). The complexes have been characterized by elemental analysis, mass spectrometry, FTIR, H-1 and C-13{H-1} NMR spectroscopy. The spectroscopic studies show that DTTT behaves as a monodentate ligand coordinating via the sulfur (C=S) donor atom in 1-5. An X-ray diffraction study Of [W(CO)(5)(DTTT)] (3) confirms that the tungsten adopts a distorted octahedral geometry with local C-4nu symmetry. (C) 2003 Elsevier Science Ltd. All rights reserved