Artem O. Dmitrienko

The crystal structure of 5-(3-methoxyphenyl)indoline-2,3-dione (C ₁₅ H ₁₁ NO ₃ ) was solved and refined using laboratory powder diffraction data and optimized using density functional techniques. The title compound crystallizes in space group Pbca with a = 11.1772(3) Å, b = 7.92536(13) Å, c = 27.0121(7) Å, and V = 2392.82(10) Å ³ . The asymmetric unit contains one molecule. Isatin molecules are joined into almost flat chains along the a direction by N–H⋯O bonds. The chains are linked into layers by π-stacking interactions. Finally, the third dimension of the crystal is formed by weaker C–H⋯π and C–H⋯O contacts.

A mixture of abramis brama (freshwater bream), carassius carassius (crucian carp), and sander lucioperca (pike perch) scales was used for the preparation of fish scale powder containing constituents of organic and inorganic nature. The mixture of the mentioned fish scales was washed, dried, and ground for the preparation of fish scale powder. Vibration sieving was used to prepare fish scale powder enriched with inorganic components. According to thermal analysis data, this fish scale powder enriched with inorganic components included about 36.5 wt.% components removed when heating, primarily those of organic nature, and 63.5 wt.% mineral components. Inorganic powders consisting of hydroxyapatite and magnesium whitlockite were obtained via heat treatment of this fish scale powder at 800–1000 °C. Particles of these inorganic powders consisted of sintered grains with dimensions less than 100 nm after heat treatment at 800 °C, less than 200 nm after heat treatment at 900 °C, and 100–1000 nm after heat treatment at 1000 °C. Fish scale powder enriched with inorganic components as well as heat-treated inorganic powders consisting of hydroxyapatite and magnesium whitlockite can be recommended for the production of different materials, such as ceramics or composites.

Mixture of abramis brama (freshwater bream), carassius carassius (crucian carp), and sander lucioperca (pike perch) scales was used for the preparation of fish scale powder containing about 26.5 wt. % of removed when heating components preferably of organic nature, and 63.5 wt. % of mineral components. Fish scale powder enriched with inorganic components was prepared from washed, dried, and ground fish scale mixture using vibration sieving. Inorganic powders consisting of hydroxyapatite and magnesium whitlockite were obtained via heat treatment of this fish scale powder at 800-1000 oC. Particles of these inorganic powders consisted of sintered grains with dimensions less than 100 nm after heat treatment at 800 oC, less than 200 nm after heat treatment at 900 oC, and 100-500 nm after heat treatment at 1000 oC. Fish scale powder enriched with inorganic components as well as heat-treated inorganic powders consisting of hydroxyapatite and magnesium whitlockite can be recommended for the production of different materials such as ceramics or composites.

The crystal structure of a novel high-energy density material 3-[(3,4-dinitro-1 H -pyrazol-1-yl)- NNO -azoxy]-4-nitro-1,2,5-oxadiazole C ₅ HN ₉ O ₈ was determined and refined using laboratory powder diffraction data. The diffraction data and database analysis were insufficient to distinguish two candidate structures from the solution step. Density functional theory with periodic boundary conditions optimizations were used to choose the correct one. 3-[(3,4-Dinitro1 H -pyrazol-1-yl)- NNO -azoxy]-4-nitro-1,2,5-oxadiazole crystallizes in space group Pbca with a = 8.3104(2) Å, b = 14.2198(5) Å, c = 19.4264(7) Å, V = 2295.66(14) Å ³ . The molecular conformation contains a weak intramolecular hydrogen bond C–H⋯O–N, and the structure is dominated by weak O⋯π and O⋯O contacts.

The crystal structure of a novel high-energy density material 3,3′-(E)diazene-1,2-diylbis{4-[(3,4-dinitro-1H-pyrazol-1-yl)-NNO-azoxy]-1,2,5-oxadiazole} (C ₁₀ H ₂ N ₁₈ O ₁₂ ) was determined and refined using laboratory powder diffraction data. The title compound crystallizes in space group P 2 ₁ / c with a = 9.5089(3) Å, b = 11.6331(4) Å, c = 10.6270(3) Å, β = 116.2370(12), V = 1054.43(6) Å ³ . The asymmetric unit contains half of the molecule. The molecular conformation contains a weak intramolecular hydrogen bond C–H⋯O–N, both nitro groups are disordered, and the structure is dominated by weak O⋯π and O⋯O contacts.

Nitronium borates of NO₂[B(OX)₄] type with X = CF₃CO and NO₂ as ligands were synthesized, and the possibility of reversible mutual transformations of these compounds was demonstrated.

In crystal structures of two chain coordination polymers [M(tcnopr3OH)₂(H₂O)₂] (M = Ni^II and Co^II; tcnopr3OH⁻ = [(NC)₂CC(O(CH₂)₃OH)C(CN)₂]⁻) based on a N,O or N,N′-bridge polynitrile ligand, the parallel chains are connected via, respectively, CN⋯H–O and O–H⋯O hydrogen bonds between uncoordinated functional groups of the ligand and coordinated water molecules. Upon heating, both solids undergo dehydration accompanied by degradation of their single crystals. Powder X-ray diffraction showed that non-isostructural triclinic single crystals transformed to isostructural monoclinic compounds. The solid-state reaction yielded 3D coordination polymers [M(tcnopr3OH)₂] (M = Ni^II and Co^II) based on a N,N′,O-connected tcnopr3OH⁻. Although previously tens of complexes based on tcnopr3OH and similar anions were synthesized and X-ray characterized, none of these contain a tridentate polynitrile ligand. Thus, this study provides evidence that solid-state reactions allow obtaining novel coordination modes of polynitrile ligands. The possible pathways for the transformation of H-bonded networks to 3D coordination polymers are discussed on the basis of the topological approach. Applicability of the topological approach to predict possible networks of solid-state reaction products based on the crystal structures of initial compounds is demonstrated.