Search results for "SINGLE-CRYSTAL"
showing 9 items of 29 documents
Photodegradation of Brilliant Green Dye by a Zinc bioMOF and Crystallographic Visualization of Resulting CO2
2021
We present a novel bio-friendly water-stable Zn-based MOF (1), derived from the natural amino acid L-serine, which was able to efficiently photodegrade water solutions of brilliant green dye in only 120 min. The total degradation was followed by UV-Vis spectroscopy and further confirmed by single-crystal X-ray crystallography, revealing the presence of CO2 within its channels. Reusability studies further demonstrate the structural and performance robustness of 1.
Semisynthetic roxburghin tetramethyl ether
2008
The title molecule, (E)-2,3′,4,5-tetramethoxystilbene, C18H20O4, is virtually planar. The angle between the two benzene rings is 4.06 (6)°. The intermolecular interactions present in the structure are weak. There are C—H...O hydrogen bonds and C—H...π-electron ring interactions. The molecules are ordered into planes that are parallel to (overline{1}01). The distance between adjacent planes is about 3.3 Å and therefore π–π electron interactions between the aromatic planes are also plausible.
Influence of M23C6 carbides on the heterogeneous strain development in annealed 420 stainless steel
2020
Understanding the local strain enhancement and lattice distortion resulting from different microstructure features in metal alloys is crucial in many engineering processes. The development of heterogeneous strain not only plays an important role in the work hardening of the material but also in other processes such as recrystallization and damage inheritance and fracture. Isolating the contribution of precipitates to the development of heterogeneous strain can be challenging due to the presence of grain boundaries or other microstructure features that might cause ambiguous interpretation. In this work a statistical analysis of local strains measured by electron back scatter diffraction and …
Pressure-Induced Polymerization of Polycyclic Arene-Perfluoroarene Cocrystals: Single Crystal X-ray Diffraction Studies, Reaction Kinetics, and Desig…
2020
Pressure-induced polymerization of aromatic compounds leads to novel materials containing sp3 carbon-bonded networks. The choice of the molecular species and the control of their arrangement in the crystal structures via intermolecular interactions, such as the arene–perfluoroarene interaction, can enable the design of target polymers. We have investigated the crystal structure compression and pressure-induced polymerization reaction kinetics of two polycyclic 1:1 arene–perfluoroarene cocrystals, naphthalene/octafluoronaphthalene (NOFN) and anthracene/octafluoronaphthalene (AOFN), up to 25 and 30 GPa, respectively, using single-crystal synchrotron X-ray diffraction, infrared spectroscopy, a…
6-Amino-2-(pivaloylamino)pyridinium benzoate
2013
In the crystal structure of the title salt, C10H16N3O+·C7H5O2−, the cations and anions are linked to each other via N—H⋯O hydrogen bonds, forming infinite chains running along [010]. The crystal structure also features C—H⋯O and π–π stacking interactions, which assemble the chains into supramolecular layers parallel to (100). The π–π stacking interactions are observed between the pyridine rings of inversion-related cations with a centroid–centroid distance of 3.867 (2) Å. Financial support from the National Science Centre in Kraków (grant No. NCN204 356840) is gratefully acknowledged. Academy Professor Kari Rissanen (Academy of Finland grant Nos. 122350, 140718, 265328 and 263256) and th…
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-hydroxyimino-N0-[1-(pyridin-2-yl)ethylethylidene]
2012
In the title compound, C14H16N6O2, the dihedral angles formed by the mean plane of the acetohydrazide group [maximum deviation 0.0629 (12) A˚ ] with the pyrazole and pyridine rings are 81.62 (6) and 38.38 (4) respectively. In the crystal, molecules are connected by N—HO and O—HN hydrogen bonds into supramolecular chains extending parallel to the c-axis direction. peerReviewed
Diammine{N-[2-(hydroxyimino)propionyl]-N'-[2-(oxidoimino)propionyl]propane-1,3-diaminido-κ4 N,N',N'',N'''}iron(III)
2012
In the title compound, [Fe(C9H13N4O4)(NH3)2], the FeIII atom, lying on a mirror plane, is coordinated by four N atoms of a triply deprotonated tetradentate N-[2-(hydroxyimino)- propionyl]-N0 -[2-(oxidoimino)propionyl]propane-1,3-diaminide ligand in the equatorial plane and two N atoms of two ammonia molecules at the axial positions in a distorted octahedral geometry. A short intramolecular O—HO hydrogen bond between the cis-disposed oxime O atoms stabilizes the pseudo-macrocyclic configuration of the ligand. In the crystal, molecules are linked by N—HO hydrogen bonds into a three-dimensional network. The ligand has a mirror-plane symmetry. One of the methylene groups of the propane bridge i…
1,2,6-Thiadiazine 1-Oxides: Unsaturated Three-Dimensional S,N-Heterocycles from Sulfonimidamides.
2020
Unprecedented three-dimensional 1,2,6-thiadiazine 1-oxides have been prepared by an aza-Michael-addition/cyclization/condensation reaction sequence starting from sulfonimidamides and propargyl ketones. The products have been further functionalized by standard cross-coupling reactions, selective bromination of the heterocyclic ring, and conversion into a β-hydroxy substituted derivative. A representative product was characterized by single-crystal X-ray structure analysis. peerReviewed
Cadmium Metal–Organic Frameworks Based on Ditopic Triazamacrocyclic Linkers: Unusual Structural Features and Selective CO 2 Capture
2017
International audience; Two three-dimensional cadmium metal organic frameworks with general formula [Cd-2(L-1)(H2O)(3)](NO3)(0.7)(HCOO)(0.2)Br-0.1 (Cd2L1, L-1 = 1,4,7-tris(4-carboxybenzy1)-1,4,7-triazacyclononane) and Cd(HL2)(H2O)(2) (CdL2, L-2 = 1,4,7-tris(3-(4-benzoate)prop-2-yn-1-yl)-1,4,7-triazacydononane) based on 1,4,7-triazacyclononane N-functionalized by different arylcarboxylic acids were prepared under solvothermal conditions and characterized by single crystal X-ray analysis and porosity measurements. The crystal structure of Cd2L1 reveals a cationic net with a bcs topology,. and nodes are constituted by dinuclear cadmium complexes, in which each cadmium atom adopts a hexacoordin…