Search results for "surface analysis"
showing 8 items of 48 documents
A second solvatomorph of poly[[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium] : crystal structure, Hirshfeld su…
2021
The title compound, poly[triaquabis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]dinickel(II)tetrapotassium], [K4Ni2(C7H6N4O7)2(H2O)3] n , is a second solvatomorph of poly[(μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)nickel(II)dipotassium] reported previously [Plutenko et al. (2021). Acta Cryst. E77, 298–304]. The asymmetric unit of the title compound includes two structurally independent complex anions [Ni(C7H6N4O7)]2−, which exhibit an L-shaped geometry and consist of two almost flat fragments perpendicular to one another: the 1,3,5-oxadiazinane fragment and the fragment including other atoms of the anion. The central Ni atom is in a square-planar N2O2 co…
Integration of high resolution spatial and spectral data acquisition systems to provide complementary datasets for cultural heritage applications
2010
International audience; Modern optical measuring systems are able to record objects with high spatial and spectral precision. The acquisition of spatial data is possible with resolutions of a few hundredths of a millimeter using active projection-based camera systems, while spectral data can be obtained using filter-based multispectral camera systems that can capture surface spectral reflectance with high spatial resolution. We present a methodology for combining data from these two discrete optical measuring systems by registering their individual measurements into a common geometrical frame. Furthermore, the potential for its application as a tool for the non-invasive monitoring of painti…
The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis
2014
An enrichment ratio is derived from the decomposition of the crystal contact surface between pairs of interacting chemical species. The propensity of different contact types to form is investigated.
Influence of Biomass Combustion Products on Element Content and Thermal Stability of Latvian Sheep Breed Wool Filter Fibres
2020
Sheep wool is natural, easy obtainable, renewable and biodegradable material with a perspective application as a sorbent in filters for purification of industrial emissions from various environmental pollutants. The element content and thermal stability of Latvian dark-headed sheep wool filter fibres was analysed and described before and after exposure to biomass combustion products. Based on the obtained results, it is concluded that the sheep wool filter fibres can sorb various gaseous combustion products, such as carbon monoxide (CO), carbon dioxide (CO2) and nitrogen oxides (NOx), however, the sorption processes of these gases are irreversible. The obtained results of total reflection X…
Non-covalent interactions of N-phenyl-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide derivatives—a case of intramolecular N-oxide hydrogen bonds
2017
The crystal structures of new N-phenyl-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide derivatives are reported. The results of X-ray diffraction showed the existence of intramolecular hydrogen bonding between carboxamide nitrogen donors and N-oxide oxygen acceptors. The use of Quantum Theory of Atoms in Molecules allowed its classification as a strong interaction, with energy about 10 kcal/mol, and of intermediate character between closed shell and shared bonds. Comparison of experimental data and quantum theoretical calculations indicated that a substituent attached to the phenyl ring in the para position influences the strength and geometry of the title hydrogen bonding. Stronger π-elect…
Characterization of thin plastic foils for applications in X-ray optics technology
2007
Thin plastic foils are being investigated to build shell optics for X-ray telescopes. Compared to polished glass optics, the advantage is in terms of increased collecting area, light weight and lower cost. Plastic material is also desirable to allow deformation into a complete surface of revolution. We collected plastic materials of common use for industrial applications and also specialty materials developed for the electronic industry. A comparative study was then performed to evaluate the optical quality of the selected plastic films. Surface analysis was carried out with topographic instruments to investigate the microroughness of our samples at different scan lengths. Preliminary resul…
Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate
2018
The asymmetric unit of the title thiazole derivative containing a sulfonylhydrazinic moiety, C9H8ClN3O3S2·H2O, consists of two independent molecules and two water molecules. The central parts of the molecules are twisted as both the molecules are bent at both the S and N atoms. In the crystal, N—H...N, N—H...O, C—H...O and O—H...O hydrogen-bonding interactions connect the molecules, forming layers parallel to the ab plane. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from O...H/H...O (32.9%) and H...H (22.6%) interactions.
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…