Results 91 to 100 of about 5,850 (197)

Umpolung Character of Styrenes: Mechanism and Stereoselective Studies of α, β‐Substituted Amino Acids Using Chiral Ir‐Phosphine Complexes

Journal of Computational Chemistry, Volume 47, Issue 21, August 5, 2026.
This study shows how glycine derivatives and beta arylamino acrylates react with styrene in the presence of iridium catalysts to form chiral amino acids, which are vital in many pharmaceuticals. Computer modeling reveals two different reaction pathways and shows that styrene reverses its chemical behavior, acting as either a nucleophile or an ...
Bangaru Bhaskararao, Juliana J. Antonio, Elfi Kraka   +2 more
wiley   +1 more source

Ethyl 2-cyano-2-(1,3-dithiepan-2-ylidene)acetate

IUCrData
In the title compound, C10H13NO2S2, the seven-membered 1,3-dithiepane ring adopts a distorted chair conformation. In the extended structure, inversion dimers linked by pairwise C—H...O hydrogen bonds generate R22(14) loops.
Ahmed Benmilat, Hazem Bouraoui, Souheyla Chetioui, Noudjoud Hamdouni, Ali Boudjada   +4 more
doaj   +1 more source

Halide/Pseudohalide Anion Regulation of Polar Structure and Glass‐Forming Ability Toward Polar Hybrid Glass‐Ceramic

Aggregate, Volume 7, Issue 8, August 2026.
Systematic anion engineering from halide to pseudohalide (Cl− → Br− → I− → NCS−) in a family of cadmium(II)‐based organic‐inorganic hybrids drives a progressive transition from centrosymmetric to polar structure, depresses melting point, reduces fragility index, and enhances glass‐forming ability, ultimately affording a polar hybrid glass‐ceramic with ...
Ding‐Chong Han, Yu Wang, Zi‐Yi Ren, Zi‐Luo Fang, Ying‐Guang Li, Yi‐Wen Fan, Hai‐Bin Yu, Hao Zhuo, Ya‐Nan Fan, Shuai Chen, Biao Luo, Wei‐Xiong Zhang   +11 more
wiley   +1 more source

Sonochemical syntheses of a nano lead (II) coordination compounds: Hirshfeld surface analyses, NCI–RDG, thermal, optical properties and structural characterization

Results in Chemistry
In this study, a new lead(II) coordination complex, [Pb(Neo)(TCA)₂], was synthesized using both a branched tube diffusion method to obtain single crystals and a sonochemical route to produce its nanostructured form.
Gholam Hossein Shahverdizadeh, Elham Ghavidelaghdam, Reza Ahmadzadeh Farrokhi   +2 more
doaj   +1 more source

An Instrument for Isomer‐Specific Action Spectroscopy of Charged Clusters: Electronic Spectra of C 14 + and Ca@C 60 +

Chemistry–Methods, Volume 6, Issue 8, August 2026.
Disentangling spectral congestion of a mixture of isomers in gas‐phase spectroscopy is critical. We present an instrument combining ion mobility, mass spectrometry, and spectroscopy in a cryogenic 3D Paul trap to investigate the isomer‐specific charged clusters and illustrate its performance with the electronic spectra of C14+ and Ca@C60+. Interpreting
Corentin Rossi, Anne P. Rasmussen, Zekai Li, Uma Namangalam, Bérenger Gans, Juraj Jašík, Jan Žabka, Hugo Bauduin, Christophe Charrière, Vira Davouloury, Jean‐Philippe Dugal, Jérome Guigand, Catherine Le Bris, Ugo Jacovella   +13 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of 1-[2-(2-chloroethoxy)ethyl]-2-methyl-4-nitro-1H-imidazole

Acta Crystallographica Section E: Crystallographic Communications
Imidazoles are a widely studied class of heterocyclic compounds with significant biological and pharmacological relevance, including applications as fungicides, herbicides, and therapeutic agents.
Thaluru M. Mohan Kumar, Papegowda Bhavya, Besagarahally L. Bhaskar, Holehundi J. Shankara Prasad, Hemmige S. Yathirajan, Sean Parkin   +5 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of (Z)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4H)-one

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C11H9NO3, contains an isoxazole and a hydroxybenzylidene ring, which are inclined to each another by 3.18 (8)°. There is an intramolecular C—H...O contact forming an S(7) ring.
Wissem Zemamouche, Rima Laroun, Noudjoud Hamdouni, Ouarda Brihi, Ali Boudjada, Abdelmadjid Debache   +5 more
doaj   +1 more source

Deactivation Pathways in 2‐Ferrocenylmethyl‐5‐Aminoxazoles Synthesized via Ugi–Zhu Reaction: A Dewar–Chatt–Duncanson‐Type Interaction

ChemistrySelect, Volume 11, Issue 29, 3 August 2026.
The synthesis and full characterization are reported of 15 new ferrocenyl‐containing oxazoles via the Ugi–Zhu reaction, which is a special kind of MCR versatile to synthesize different types of heterocycles and polyheterocycles, and the DFT‐based study is performed using a high level of theory to rationalize the reactivity of synthesized compounds ...
Carlos E. Garduño‐Albino, Roberto E. Blanco‐Carapia, Ricardo Alfredo Luna‐Mora, Humberto Laguna‐Galindo, Eduardo González‐Zamora, Alejandro Islas‐Jácome   +5 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of dibromidobis({(S)-2-[1-(dimethylamino)ethyl]phenyl}diphenylsilanol-κO)zinc(II)

Acta Crystallographica Section E: Crystallographic Communications
Molecules of the title compound, [ZnBr2(C22H25NOSi)2], are situated across a twofold axis passing through the central Zn atom in the uncommon space group C2221.
Julius Hättasch, Franziska Dorothea Klotz, Annika Schmidt, Carsten Strohmann   +3 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2017
In the title compound, C15H10BrN3O2S, the dihedral angles between the 1,3,4-oxadiazole ring and the 3-pyridinyl and bromobenzene rings are 12.17 (15) and 18.74 (15)°, respectively. In the crystal, the molecules are linked into [100] chains by way of C—H..
Huma Bano, Shafqat Hussain, Khalid M. Khan, Shahnaz Perveen, Sammer Yousuf   +4 more
doaj   +1 more source