Backbone-controlled LUMO energy induces intramolecular C-H activation in ortho-bis-9-borafluorene-substituted phenyl and o-carboranyl compounds leading to novel 9,10-diboraanthracene derivatives.
Chemical Science
Krebs, Johannes J; Häfner, Alena A; Fuchs, Sonja S; Guo, Xueying X; Rauch, Florian F; Eichhorn, Antonius A; Krummenacher, Ivo I; Friedrich, Alexandra A; Ji, Lei L; Finze, Maik M; Lin, Zhenyang Z; Braunschweig, Holger H; Marder, Todd B TB
Synthesis, crystal structure elucidation, DFT analysis, drug-likeness and ADMET evaluation and molecular docking studies of triazole derivatives: Binary inhibition of spike protein and ACE2 receptor protein of COVID-19.
Journal Of The Chinese Chemical Society. Zhongguo Hua Xue Hui (Taipei, Taiwan)
Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response.
Rsc Advances
Adeel, Muhammad M; Khalid, Muhammad M; Ullah, Malik Aman MA; Muhammad, Shabbir S; Khan, Muhammad Usman MU; Tahir, Muhammad Nawaz MN; Khan, Ilham I; Asghar, Muhammad M; Mughal, Khawar Shahzad KS
Chloro-cobalt complexes with pyridyl-ethyl-derived di-aza-cyclo-alkanes.
Acta Crystallographica. Section E, Crystallographic Communications
Addison, Anthony W AW; Jaworski, Stephen J SJ; Jasinski, Jerry P JP; Turnbull, Mark M MM; Xiao, Fan F; Zeller, Matthias M; O'Connor, Molly A MA; Brayman, Elizabeth A EA
Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids.
Acs Omega
O'Rourke, Brianna B; Lauderback, Clare C; Teodoro, Lara I LI; Grimm, Morgan M; Zeller, Matthias M; Mirjafari, Arsalan A; Guillet, Gary L GL; Hillesheim, Patrick C PC
Reactivity of a Dinuclear PdI Complex [Pd2(μ-PPh2)(μ2-OAc)(PPh3)2] with PPh3: Implications for Cross-Coupling Catalysis Using the Ubiquitous Pd(OAc)2/nPPh3 Catalyst System.
Organometallics
Scott, Neil W J NWJ; Ford, Mark J MJ; Husbands, David R DR; Whitwood, Adrian C AC; Fairlamb, Ian J S IJS
Syntheses and structures of two benzoyl amides: 2-chloro-4-eth-oxy-3,5-dimeth-oxy-N-(3-oxo-cyclo-hex-1-en-1-yl)benzamide and 2-chloro-N-(5,5-dimethyl-3-oxo-cyclo-hex-1-en-1-yl)-4-eth-oxy-3,5-di-meth-oxy-benzamide.
Acta Crystallographica. Section E, Crystallographic Communications
Anderson, Alan J AJ; Butcher, Ray J RJ; Ollie, Edward E
Three-Component Self-Assembly Changes its Course: A Leap from Simple Polymers to 3D Networks of Spherical Host-Guest Assemblies.
Angewandte Chemie (International Ed. In English)
Peresypkina, Eugenia E; Grill, Kevin K; Hiltl, Barbara B; Virovets, Alexander V AV; Kremer, Werner W; Hilgert, Jan J; Tremel, Wolfgang W; Scheer, Manfred M
Supramolecular Complexes of β-Cyclodextrin with Clomipramine and Doxepin: Effect of the Ring Substituent and Component of Drugs on Their Inclusion Topologies and Structural Flexibilities.
Structural comparison of five new halogenated dihydroquinoline-4(1H)-ones.
Journal Of Molecular Structure
Vaz, Wesley F WF; Michelini, Lidiane J LJ; Oliveira, Gerlon A R GAR; Lião, Luciano M LM; Perez, Caridad N CN; Oliver, Allen G AG; Napolitano, Hamilton B HB
Tetra-n-butyl-ammonium orotate monohydrate: knowledge-based comparison of the results of accurate and lower-resolution analyses and a non-routine disorder refinement.
Acta Crystallographica. Section E, Crystallographic Communications
Ara, Irene I; Basdouri, Zeineb Z; Falvello, Larry R LR; Graia, Mohsen M; Guerra, Pablo P; Tomás, Milagros M
Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1H-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1H-isochromen-1-one.
Acta Crystallographica. Section E, Crystallographic Communications
Syed Abuthahir, S S; NizamMohideen, M M; Mayakrishnan, S S; Uma Maheswari, N N; Viswanathan, V V
Crystal structure of 6-(4-chloro-phen-yl)-6a-nitro-6a,6b,8,9,10,12a-hexa-hydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11'-indeno-[1,2-b]quinoxaline].
Acta Crystallographica. Section E, Crystallographic Communications
Syed Abuthahir, S S; NizamMohideen, M M; Viswanathan, V V; Velmurugan, D D; Nagasivarao, J J
The crystal structures of 6'-(4-chloro-phen-yl)- and 6'-(4-meth-oxy-phen-yl)-6a'-nitro-6a',6b',7',9',10',12a'-hexa-hydro-2H,6'H,8'H-spiro-[ace-naphthyl-ene-1,12'-chromeno[3,4-a]indolizin]-2-one.
Acta Crystallographica. Section E, Crystallographic Communications
Syed Abuthahir, S S; NizamMohideen, M M; Viswanathan, V V; Velmurugan, D D; Nagasivarao, J J
A resonance-assisted intra-molecular hydrogen bond in compounds containing 2-hy-droxy-3,5-di-nitro-benzoic acid and its various deprotonated forms: redetermination of several related structures.
Acta Crystallographica. Section E, Crystallographic Communications
Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (E)-1-(anthra-cen-9-yl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-[4-(9H-carbazol-9-yl)phen-yl]prop-2-en-1-one.
Acta Crystallographica. Section E, Crystallographic Communications
Zainuri, Dian Alwani DA; Razak, Ibrahim Abdul IA; Arshad, Suhana S