Crystallographic studies of nitro-gen-containing small mol-ecules aid in the elucidation of their structure-activity relationships and modes of aggregation. In this study, two previously synthesized mol-ecules are crystallographically characterized for the first time. Reaction of 2,4-di-methyl-aniline with -bromo-succinimide affords the -brominated derivative 2-bromo-4,6-di-methyl-aniline (; CHBrN), which sublimates to afford crystals featuring hydrogen-bonded chains as well as Type I halogen-halogen inter-actions. Conversely, alkyl-ation of two equivalents of 2,4-di-methyl-aniline with 1,2-di-bromo-ethane affords a separable mixture of ,'-bis-(2,4-di-methyl-phen-yl)piperazine (; CHN), which was crystallographically characterized, as well as ,'-bis-(2,4-di-methyl-phen-yl)ethyl-enedi-amine ().
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http://dx.doi.org/10.1107/S2056989018011404 | DOI Listing |
Inorg Chem
January 2025
Department of Chemistry, The University of Chicago, Chicago, Illinois 60637, United States.
Luminescent chiral metal-organic frameworks (CMOFs) are promising candidates for the enantioselective sensing of important chiral molecules. Herein, we report the synthesis and characterization of Zn and Cd CMOFs based on 1,1'-bi-2-naphthol (BINOL)-derived 3,3',6,6'-tetra(benzoic acids), H-OEt and H-OH. Four CMOFs, -OEt, -OH, -OEt, and -OH, based on these ligands were crystallographically characterized.
View Article and Find Full Text PDFNano Lett
January 2025
Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, P.R. China.
Crystals with three-dimensional (3D) stereoscopic structures, characterized by diverse shapes, crystallographic planes, and morphologies, represent a significant advancement in catalysis. Differentiating and quantifying the catalytic activity of specific surface facets and sites at the single-particle level is essential for understanding and predicting catalytic performance. This study employs super-resolution radial fluctuations electrogenerated chemiluminescence microscopy (SRRF-ECLM) to achieve high-resolution mapping of electrocatalytic activity on individual 3D CuO crystals, including cubic, octahedral, and truncated octahedral structures.
View Article and Find Full Text PDFDalton Trans
January 2025
Department of Inorganic Chemistry, Shahid Beheshti University, 1983969411, Tehran, Iran.
In a systematic study, six pseudopolymorphic coordination polymers containing the ditopic 1,3-di(pyridin-4-yl)urea ligand (4bpu) constructed with d metal cations, possessing the formula {[M(4bpu)I]S} [(M = Zn, Cd and Hg), (S = MeOH or EtOH)], namely Zn-MeOH, Zn-EtOH, Cd-MeOH, Cd-EtOH, Hg- and Hg-EtOH were obtained. The title compounds were characterized by single-crystal X-ray diffraction analysis (SC-XRD), elemental analysis (CHN), FT-IR spectroscopy, thermogravimetric analysis (TGA), and powder X-ray diffraction (PXRD). The diffraction studies show that these compounds are isostructural 1D zig-zag chain coordination polymers which is also confirmed using XPac 2.
View Article and Find Full Text PDFChem Commun (Camb)
January 2025
Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario, L8S 4M1, Canada.
Dissolution of the potassium complex [K(ATe)(dme)] (1-Te) in THF, layering with hexanes, and cooling to -30 °C afforded X-ray quality crystals of [K(ATe)(THF)] (2-Te). The K-TeR distances in 2-Te are substantially shorter than those in 1-Te, and DFT and QTAIM calculations support the presence of K-TeR interactions, providing the first unambiguous examples of s-block-telluroether bonding. Attempts to prepare bulk quantities of 2-Te afforded [K(ATe)(THF)] (3-Te), and further drying yielded [K(ATe)(THF)] (4-Te) and [K(ATe)] (5-Te).
View Article and Find Full Text PDFInt J Mol Sci
January 2025
College of Chemistry and Life Science, Beijing University of Technology, Beijing 100124, China.
Cyanobacterial cytochrome c6 (Cyt c6) is crucial for electron transfer between the cytochrome b6f complex and photosystem I (PSI), playing a key role in photosynthesis and enhancing adaptation to extreme environments. This study investigates the high-resolution crystal structures of Cyt c6 from PCC 7942 and PCC 6803, focusing on its dimerization mechanisms and functional implications for photosynthesis. Cyt c6 was expressed in using a dual-plasmid co-expression system and characterized in both oxidized and reduced states.
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