In the title compound, C(13)H(16)N(2)(2+).2C(2)H(4)O(5)P(-), the cation lies across a twofold rotation axis in space group Fdd2. The anions are linked into molecular ladders by two O-H.O hydrogen bonds [H.O = 1.73 and 1.77 A, O.O = 2.538 (2) and 2.598 (3) A, and O-H.O = 160 and 170 degrees ], these ladders are linked into sheets by a single type of N-H.O hydrogen bond [H.O = 1.75 A, N.O = 2.624 (3) A and N-H.O = 171 degrees ] and the sheets are linked into a three-dimensional framework by a single type of C-H.O hydrogen bond [H.O = 2.48 A, C.O = 3.419 (4) A and C-H.O = 167 degrees ].
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http://dx.doi.org/10.1107/s0108270103011818 | DOI Listing |
Brief Bioinform
November 2024
Department of Computer Science, Yonsei University, Yonsei-ro 50, Seodaemun-gu, 03722, Seoul, Republic of Korea.
Identifying new compounds that interact with a target is a crucial time-limiting step in the initial phases of drug discovery. Compound-protein complex structure-based affinity prediction models can expedite this process; however, their dependence on high-quality three-dimensional (3D) complex structures limits their practical application. Prediction models that do not require 3D complex structures for binding-affinity estimation offer a theoretically attractive alternative; however, accurately predicting affinity without interaction information presents significant challenges.
View Article and Find Full Text PDFDalton Trans
January 2025
State Key Laboratory of Materials-Oriented Chemical Engineering, College of Chemical Engineering, Nanjing Tech University, Nanjing 211816, P. R. China.
In the history of magnetochemistry development, lanthanide-transition (3d-4f) heterometallic compounds have been considered an attractive candidate for magnetic refrigerants. Herein, a series of heterometallic compounds have been designed and templated by CO anions, that is, {[LnNi(L)(CO)(HO)]·HO} [Ln = Gd (. Gd2Ni) = Sm (.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
POLYMAT, University of the Basque Country UPV/EHU, Avenida de Tolosa 72, Donostia-San Sebastián 20018, Spain.
A challenging aspect in the synthesis of covalent organic frameworks (COFs) that goes beyond the framework's structure and topology is interpenetration, where two or more independent frameworks are mechanically interlocked with each other. Such interpenetrated or interlocked frameworks are commonly found in three-dimensional (3D) COFs with large pores. However, interlocked two-dimensional (2D) COFs are rarely seen in the literature, as 2D COF layers typically crystallize in stacks that maximize stabilization through π-stacking.
View Article and Find Full Text PDFInorg Chem
January 2025
MOE Key Laboratory of Cluster Science, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 102488, China.
A novel antimonotungstate (AT)-based heterometallic framework {[Er(HO)][Fe(Hpdc)(B-β-SbWO)]}·50HO (, Hpdc = pyridine-2,5-dicarboxylic acid) was obtained through a synergistic strategy of in situ-generated transition-metal-encapsulated polyoxometalate (POM) building units and the substitution reaction. Its structural unit is composed of a tetra-Fe-substituted Krebs-type [Fe(Hpdc)(B-β-SbWO)] subunit and two [Er(HO)] cations. This subunit can be regarded as a product of carboxylic oxygen atoms of Hpdc ligands replacing active water ligands in the [Fe(HO)(B-β-SbWO)] species.
View Article and Find Full Text PDFEnviron Res
January 2025
Department of Chemistry, University college in Al-Jamoum, Umm Al-Qura University, 21955, Makkah, Saudi Arabia.
Accurate quantification of neonicotinoid insecticides is pivotal to ensure environmental safety by examining and mitigating their potential harmful effects on pollinators and aquatic ecosystems. In this scenario, detection of neonicotinoid insecticide, thiamethoxam (TMX), is significant for safeguarding ecological balance and human health. Hence, we developed a highly sensitive electrochemical sensor for detection of TMX in environmental samples, utilizing a novel nanocomposite with superior electrocatalytic properties and integrating an optimized neural network for accurate data analysis.
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