The title compound ,,','-tetra-methyl-ethanedi-amine, CHN, is a bidentate amine ligand commonly used in organolithium chemistry for deaggregation. Crystals were grown at 243 K from -pentane solution. The complete mol-ecule is generated by a crystallographic center of symmetry and the conformation of the di-amine is anti-periplanar. To investigate the inter-molecular inter-actions, a Hirshfeld surface analysis was performed. It showed that H⋯H (van der Waals) inter-actions dominate with a contact percentage of 92.3%.
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http://dx.doi.org/10.1107/S2056989021012457 | DOI Listing |
IUCrJ
January 2025
Département de Chimie, Université de Sherbrooke, Sherbrooke, Québec, Canada.
In the recent publication by Zhou et al. [(2025). IUCrJ, 12, https://doi.
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January 2025
Dynamic Molecular Materials Laboratory, Department of Life Sciences, University of Modena and Reggio Emilia, Modena, 41125, Italy.
Understanding dynamic processes in molecular crystals is becoming crucial for the development of next-generation smart crystalline materials. In this context, Zwolenik & Makal [(2025). IUCrJ, 12, https://doi.
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December 2024
Materials Innovation Factory, Department of Chemistry, University of Liverpool 51 Oxford Street L7 3NY Liverpool UK
We report the synthesis, structural characterization and magnetic properties of Kcoronene, and demonstrate a computational screening workflow designed to accelerate the discovery of metal intercalated polycyclic aromatic hydrocarbon (PAH), a class of materials of interest following reports of superconductivity, but lacking demonstrated and understood characterised material compositions. Coronene is identified as a suitable PAH candidate from a library of PAHs for potassium intercalation by computational screening of their electronic structure and of the void space in their crystal structures, targeting LUMO similarity to C and the availability of suitable sites to accommodate inserted cations. Convex hull calculations with energies from crystal structure prediction based on ion insertion into the identified void space of coronene suggest that the = 3 composition in K coronene is stable at 0 K, reinforcing the suitability of coronone for experimental investigation.
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December 2024
Tianjin Key Laboratory of Functional Crystal Materials, Institute of Functional Crystal, College of Materials Science and Engineering, Tianjin University of Technology Tianjin 300384 China
Non-centrosymmetric (NCS) compounds can exhibit many symmetry-dependent functional properties, yet their rational structure design remains a great challenge. Herein, a strategy to introduce F-centered octahedra to construct a perovskite-type framework filled by π-conjugated [BO] dimers is proposed to obtain NCS compounds. The first examples of antiperovskite or double antiperovskite borate fluorides, [(M/Ba)Ca]F[BO] (M = K, Rb) and [CsBaCa]F[BO], have been successfully designed and synthesized.
View Article and Find Full Text PDFHeliyon
December 2024
Department of Applied Chemistry and Chemical Engineering, Islamic University, Kushtia, Bangladesh.
Hematite (α-FeO) nanoparticles have been synthesized from waste source of iron which contains a prominent amount of iron (93.2 %) and investigated the effect of low temperature calcination. The two-step synthesis method involved preparing ferrous sulfate through acid leaching process followed by oxidation and calcination at temperatures ranging from 200 to 400 °C to produce the desired α-FeO in nano form.
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