Results 131 to 140 of about 4,722,216 (249)

Short Sb···Sb Contacts in Polymorphic Tris(p‐Tolyl)Antimony: A Hallmark of Organoantimony(III) Solid‐State Chemistry?

Angewandte Chemie, Volume 138, Issue 41, 5 October 2026.
Discovery of polymorphism in solid tris(p‐tolyl)antimony(III) highlighted short, direct antimony‐antimony contacts, with interatomic separation shorter than the sum of the van der Waals radii, and calculated interaction energy of ca. 26 kJ mol−1 that includes a significant dispersion component.
Imogen Suh, Michael Ferguson, Filip Topić, Fu‐Qiang Gong, Mihails Arhangelskis, Hatem M. Titi, D. Scott Bohle, Vinko Nemec, Levente Kiss, Andrew J. Morris, Cristian Silvestru, Dominik Cinčić, Tomislav Friščić   +12 more
wiley   +2 more sources

Analysis of lattice changes and weak interactions in a series of solvatomorphic isostructural spin‐crossover compounds

Acta Crystallographica Section C, EarlyView.
Five new solvatomorphic spin‐crossover compounds were crystallized and structurally characterized. Variable‐temperature X‐ray diffraction, Hirshfeld surface analysis and NCI plots shed light on the role of weak interactions.Five new solvate forms of the complex bis(thiocyanato‐κN)[tris(pyridin‐2‐ylmethyl)amine‐κ4N,N′,N′′,N′′′]iron(II), [Fe(NCS)2 ...
Daniel Brüx, Johannes Bartusel, Florian Kleemiss   +2 more
wiley   +1 more source

Microenvironmental Tuning in Isostructural Conjugated Metal–Organic Frameworks for Superior Photocatalytic H2O2 Generation

Angewandte Chemie, Volume 138, Issue 41, 5 October 2026.
Two isostructural conjugated‐MOFs (Fe‐Tp and Mn‐Tp) photocatalysts were engineered with nonequivalent microenvironmental redox tuning for hydrogen peroxide production. The manganese analog engages both the oxygen reduction reaction and the water oxidation reaction while suppressing decomposition, delivering 10 487 µmol g−1 h−1 with an apparent quantum ...
Kayaramkodath Chandran Ranjeesh, Avanti Chakraborty, Pilar Pena Sánchez, Jose Ignacio Martinez, Abdul Khayum Mohammed, Nada Elmerhi, Stefano Canossa, Matjaž Finšgar, Felipe Gándara, Pradip Pachfule, Dinesh Shetty   +10 more
wiley   +2 more sources

Analysis of cation‐π interactions using quantum chemistry and statistical analysis of high‐resolution protein structures

The FEBS Journal, EarlyView.
Shown is a typical detail of a high‐resolution crystal structure (PDB ID 1B5E, chain A) showing the nearness of a phenylalanine residue, Phe24, and a lysine residue, Lys32, that are not engaged in the proposed cation–π interaction. The study statistically examines charged residues near phenylalanine's aromatic ring, supported by quantum chemical ...
Hessel Poelman, Jochen Eeckhoudt, Kanin Wichapong, Gert Vriend, Esther Lutgens, Mercedes Alonso, Gerry A. F. Nicolaes   +6 more
wiley   +1 more source

Modular One‐Pot Access to π‐Expanded Tetrakis(Phenothiazinyl)‐Silanes With Broadly Tunable Redox and Emission Properties

Chemistry – A European Journal, Volume 32, Issue 39, 22 October 2026.
A library of 21 tetrakis(phenothiazinyl)‐substituted silanes with broadly variable substituent decoration, which are fully reversible multistage redox systems with intense tunable emission from deep blue to yellow–green (441–533 nm), was rapidly synthesized by bromine–lithium exchange/borylation–Suzuki coupling of tetrakis(4‐bromophenyl)silane or by ...
Thomas P. M. Merke, Lysander Presser, Leonard Karl, Christian Ganter, Thomas J. J. Müller   +4 more
wiley   +1 more source

Synthesis, Crystallization, X-Ray Characterization, and Hirshfeld Surface Analysis of 4-(2-((2Z,5Z)-2-(((E)-1-(1-(4-Bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)ethylidene)hydrazineylidene)-4-methylthiazol-5(2H)-ylidene)hydrazineyl)benzenesulfonamide DMSO Monosolvate [PDF]

Ahmed F. Khalil, Tarek Fathy El-Moselhy, Nabaweya Sharafeldin, Koki Yamaguchi, Masaharu Sugiura, Mohamed I Elshorbagy, Mervat H. El‐Hamamsy, V.R. Vangala, Haytham O. Tawfik   +8 more
openalex   +1 more source

3-Benzyloxybenzaldehyde: Ab initio powder structure determination and Hirshfeld surface analysis

, 2013
The crystal structure of 3-benzyloxybenzyldehyde (2) has been determined from laboratory X-ray powder diffraction data. The DFT optimized molecular geometry in 2 agrees closely with that obtained from the X-ray study.
Chattopadhyay, Basab, Mukherjee, Monika, Mukherjee, Alok Kumar, Das, Uday   +3 more
core   +1 more source

Correction: Crystal Structure, Hirshfeld Surface Analysis, and Molecular Modeling of a Flexible Aliphatic β-Diketone with Potential Acetylcholinesterase Inhibitory Activity [PDF]

Abdessamad Benabbou, Oussama Khibech, Youssef Draoui, Mohammed Riad Fouad, Karthik Venkatesh, Marwa Alaqarbeh, Zaragoza Verez Guillermo, Abdessamad Tounsi, Rachid Touzani, Mohamed Anouar Harrad   +9 more
openalex   +1 more source

Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

In the title compound, C19H18BrFN2O, the pyrrolidine ring adopts an envelope conformation. In the crystal, molecules are linked by intermolecular N - H...O, C - H...O, C - H...F and C - H...Br hydrogen bonds, forming a three-dimensional network.
AKKURT, MEHMET, Sadikhova, Nurlana D., Bhattarai, Ajaya, Podrezova, Alexandra G., Hasanov, Khudayar I., Grigoriev, Mikhail S., Pronina, Anastasia A.   +6 more
core   +1 more source

Polymorphism, Crystal Habit and Intermolecular Contact Topology in Benzothiazine Derivatives: A Comparative Hirshfeld Surface Analysis of Seven Crystal Structures [PDF]

Pavlo Bondarenko
openalex   +1 more source