The title compound, CHClNO, is a non-liquid crystal with a bent-shaped mol-ecule. The dihedral angles between adjacent aromatic rings in the mol-ecule (starting from the cyano-benzene ring) are 72.61 (2), 87.69 (4), 64.08 (2) and 88.23 (2)°, indicating that adjacent rings are close to perpendicular to each other. In the crystal, the mol-ecules are linked by weak C-H⋯N and C-H⋯π inter-actions, thereby forming a two-dimensional supra-molecular architecture in the plane. The most important contributions to the crystal packing arise from H⋯H (59.3%), S⋯H (27.4%) and O⋯H (7.5%) inter-actions, as determined by a Hirshfeld surface analysis.
Download full-text PDF |
Source |
---|---|
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9535834 | PMC |
http://dx.doi.org/10.1107/S2056989022008441 | DOI Listing |
Chemistry
January 2025
University of Hyderabad School of Chemistry, School of Chemistry, School of Chemistry, University of Hyderabad, 500046, Hyderabad, INDIA.
The amorphous/crystalline (A/C) assembly in molecular solids has a direct bearing on their attributes and applications, including mechanical, pharmaceutical, electronic and photophysical. A systematic analysis of the molecular features and interactions that determine the predilection towards the A, C or bi-stable A-C states is critical. This fundamental problem is addressed through an exhaustive investigation of a large family of alkoxyalkyl diaminodicyanoquinodimethanes (ROR'-DADQs); enhancement of their fluorescence from the solution, to the A, to the C state serves as an excellent signature of the phase preference and temporal stability.
View Article and Find Full Text PDFMolecules
January 2025
Faculty of Chemistry, Nicolaus Copernicus University in Toruń, Gagarina 7, 87-100 Toruń, Poland.
We report the synthesis and characterization of new, user-friendly gold(I) [Au(μ-(NH)CCF)] coordination polymer and [AuCl(NH(NH=)CCF)] complex. These compounds were investigated for potential application as precursors in chemical vapor deposition (CVD) and focused electron/ion beam-induced deposition (FEBID/FIBID), which are additive methods to produce nanomaterials. Single-crystal X-ray diffraction, elemental analysis, and infrared spectroscopy were used to determine the complexes' composition and structure.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Nankai University, School of Materials Science and Engineering, CHINA.
The application of temperature-compensated photonic device is hampered by poor accuracy and overly simplistic functions of propagation in photonic integrated circuits (PICs) field. Herein, we report a new library of donor-acceptor metal-organic framework (D-A MOF) with thermally activated delayed fluorescence (TADF) and the fabricating of temperature-compensated photonic device by virtue of the unique temperature response character of TADF emitters. Highly tunable through-space charge transfer (TSCT) of TADF was realized within the D-A MOFs through a novel strategy that synergistically combines the internal heavy atom effect (HAE) with an external HAE, induced by the incorporation of heavy atoms into different components, achieving the regulable photophysical indicators including adjustable PL wavelength (534 to 592 nm) and surging quantum yield (5.
View Article and Find Full Text PDFJ Environ Manage
January 2025
Department of Soil Science and Agricultural Chemistry, Engineering Polytechnic School, University of Santiago de Compostela, 27002, Lugo, Spain.
The primary goal of the current work was to construct pH-sensitive nano and microcomposite hydrogel beads based on alginate (AL), carboxymethyl cellulose (CMC), biochar (BC), and two Moroccan clays: Ghassoul (swelling SW) and red (not swelling NSW) nano and microhybrid. The adsorbents, SW + AL, SW + AL + BC, SW + AL + CMC, NSW + AL, NSW + AL + BC, NSW + AL + CMC, AL, and AL + CMC were prepared for the adsorption of the antibiotic sulfadiazine (SDZ). The test samples were characterized using a variety of techniques, including X-Ray Diffraction (XRD), IR spectroscopy (FT-IR), and scanning electron microscopy (SEM), with the molecular structures of the studied additives geometrically optimized using the DFT/B3LYP method and the function 6-311G(d).
View Article and Find Full Text PDFTurk J Chem
October 2024
Supramolecular Compounds Division, Institute of General and Inorganic Chemistry, Uzbekistan Academy of Sciences, Tashkent, Uzbekistan.
The cocrystal (or supramolecular complex) between the Cu(II) complex of salicylic acid and uncoordinated piracetam has been synthesized. Its structure is characterized by elemental analysis, FT-IR, UV-Vis spectroscopy, and X-ray crystallography. Spectroscopic methods confirm the formation of the metal complex, while X-ray crystallography establishes the molecular and crystal structure of the obtained compound.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!