Results 71 to 80 of about 6,682,702 (328)
Acta Crystallographica Section E: Crystallographic Communications, 2020 The stabilized conformation of the title compound, C13H9Cl2N3O2, is similar to that of the isomeric compound (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine.
Zeliha Atioğlu +7 more
doaj +1 more source
European Journal of Chemistry, 2023 The 4-fluoro-N-(1,3-dioxoisoindolin-2-yl)benzamide was synthesized by the reaction of 4-fluorobenzohydrazide with phthalic anhydride in acetic acid. The compound was characterized by analytical instruments like FT-IR and NMR.
Elancheran Ramakrishnan +4 more
semanticscholar +1 more source
Structural, Spectroscopic and Hirshfeld Surface Analysis of Anilinium Malonate
Asian Journal of Chemistry, 2019 The comprehensive elucidation of the crystal structure, vibrational and Hirshfeld surface analysis of new crystalline product anilinium malonate C6H5NH3 +. C3H3O4 – are presented in this communication. Single crystals of anilinium malonate have been grown by the method of slow evaporation at room temperature.
N. Kanagathara +3 more
openaire +2 more sources
A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E Crystallographic Communications, 2022 A new pseudopolymorph of berberine, 9,10-dimethoxy-5,6-dihydro-2H-7λ5-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ylium chloride methanol monosolvate, C20H18NO4 +·Cl−·CH3OH, was obtained during co-crystallization of berberine chloride with malonic acid from methanol.
Tatiana Kornilova +3 more
openaire +3 more sources
Advanced Functional Materials, EarlyView.A novel approach by depositing In2O3 onto an oxygen vacancy (OV)‐enriched support, ceria‐zirconia solid solutions (CZ), to activate synergistic effects is proposed. The OV contributes greatly to the dissociation of H2O and further promotes the hydrogenation of adsorbed CO2 species.
Ruirui Qi +10 more
wiley +1 more source
Gradient-Driven Molecule Construction: An Inverse Approach Applied to the Design of Small-Molecule Fixating Catalysts [PDF]
, 2014 Rational design of molecules and materials usually requires extensive screening of molecular structures for the desired property. The inverse approach to deduce a structure for a predefined property would be highly desirable, but is, unfortunately, not ...
Reiher, Markus, Weymuth, Thomas
core +1 more source
Crystal structure and Hirshfeld surface analysis of 2-aminopyridinium hydrogen phthalate [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2019 Aminopyridine and phthalic acid are well known synthons for supramolecular architectures for the synthesis of new materials for optical applications. The 2-aminopyridinium hydrogen phthalate title salt, C5H7N2 +·C8H5O4 −, crystallizes in the non-centrosymmetric space group P21.
M. Suresh +3 more
openaire +4 more sources
Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications
Advanced Materials, EarlyView.This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar +3 more
wiley +1 more source
Acta Crystallographica Section E: Crystallographic CommunicationsThis study presents the synthesis, characterization and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one, C19H18Br2N2O.
Anastasia A. Pronina +7 more
doaj +1 more source
Acta Crystallographica Section E: Crystallographic Communications, 2018 A new mononuclear tetrahedral CoII complex, dichloridobis(imidazo[1,2-a]pyridine-κN1)cobalt(II), [CoCl2(C7H6N2)2], has been synthesized using a bioactive imidazopyridine ligand.
Saikat Kumar Seth
doaj +1 more source