Synthesis, crystal structure and Hirschfeld surface analyses of an alkyl amine based salt, [C5H16N2][ZnCl4] and its enzyme inhibition activity
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Saudi Chemical Society"
DOI: 10.1016/j.jscs.2016.12.002
Abstract: Abstract A novel ionic zinc salt based on alkyl amine is reported. The structure of the studied salt is established by crystal X-ray crystallography, FT-IR and NMR spectroscopy. Furthermore, Hirschfeld surface analyses of the studied… read more here.
Keywords: surface analyses; inhibition activity; enzyme inhibition; salt ... See more keywords
Sulfanyl vs sulfonyl, 4,5- vs 3,6- position. How structural variations in phthalonitrile substitution affect their infra-red, crystallographic and Hirshfeld surface analyses
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.10.069
Abstract: Abstract Two structural factors (sulfonyl vs sulfanyl, 4,5- vs 3,6- position) of phthalonitriles - which are used in several material-related applications - have been comparatively investigated in terms of crystallographic properties and Hirshfeld surface analyses.… read more here.
Keywords: surface analyses; hirshfeld surface; sulfonyl position; sulfanyl sulfonyl ... See more keywords
Hirshfeld surface analyses and crystal structures of supramolecular self-assembly thiourea derivatives directed by non-covalent interactions
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.12.017
Abstract: Abstract The novel N -( bis (3,5-dimethoxybenzyl)carbamothioyl)-4- R -benzamide ( R : H, Cl, CH 3 and OCH 3 ) compounds have been synthesized and characterized by FT-IR, 1 H NMR and 13 C NMR… read more here.
Keywords: structures supramolecular; surface analyses; hirshfeld surface; analyses crystal ... See more keywords
Syntheses of novel 2-oxo-1,2-dihydroquinoline derivatives: Molecular and crystal structures, spectroscopic characterizations, Hirshfeld surface analyses, molecular docking studies and density functional theory calculations
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128461
Abstract: Abstract Sixteen new quinoline derivatives (3–18) have been synthesized through cyclocondensation, nucleophilic substitution and alkylation reactions. All the obtained compounds have been characterized using 1H-, 13C and 19F NMR spectroscopic measurements. The molecular and crystal… read more here.
Keywords: surface analyses; density functional; hirshfeld surface; molecular crystal ... See more keywords
Syntheses, single crystal X-ray structure, Hirshfeld surface analyses, DFT computations and Monte Carlo simulations of New Eugenol derivatives bearing 1,2,3-triazole moiety
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2021.130189
Abstract: Abstract A novel series of 1,2,3-triazole derivatives containing the eugenol ring (3 and 4) were synthesized in good yields (78 and 82%, respectively) by click chemistry method [Copper-Catalyzed Azide-Alkyne Cycloaddition (CuAAC)]. We report here the… read more here.
Keywords: surface analyses; monte carlo; crystal ray; single crystal ... See more keywords
Syntheses, structures, Hirshfeld surface analyses and magnetic properties of a series of homopolynuclear half-salamo-based complexes
Sign Up to like & getrecommendations! Published in 2018 at "Polyhedron"
DOI: 10.1016/j.poly.2018.08.060
Abstract: Abstract Two newly di- and tri-nuclear Cu(II) and Ni(II) complexes constructed from a half-salamo chelating ligand (HL: 2-[O-(1-ethyloxyamide)]oxime-6-methoxyphenol), [Cu2(L)2(μ-OAc)2] (1) and [{Ni3(μ-OAc)2(L)2(OAc)2]·CHCl3 (2), and one tetranuclear Co(II) complex [Co4(L′)4(MeOH)4] (3) based on an unexpected ligand… read more here.
Keywords: half salamo; surface analyses; magnetic properties; hirshfeld surface ... See more keywords
Hydroxybenzoate salts of cobalt(II), manganese(II), and nickel(II): synthesis, crystal structure, Hirshfeld surface analyses, and thermal behavior
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Coordination Chemistry"
DOI: 10.1080/00958972.2023.2201871
Abstract: Abstract The reaction of hydroxybenzoates with divalent first row transition metal ions afforded four mononuclear complexes, [M(OH2)6](dhbzc)2·2H2O (M = Co2+, 1 or Mn2+, 2), [Ni(OH2)6](hbzc)2·2H2O (3) and [Ni(OH2)5(hbzc)](hbzc)·3H2O (4) (where dhbzc− = 2,6-dihydroxybenzoate and hbzc− = 4-hydroxybenzoate).… read more here.
Keywords: hydroxybenzoate salts; close contacts; surface analyses; hirshfeld surface ... See more keywords
Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ2 S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ2 S,S′]triphenyltin(IV)
Sign Up to like & getrecommendations! Published in 2018 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989018005133
Abstract: The metal coordination geometry in each of the title molecules, [Sn(C6H5)3(C8H16NS2)] (I) and [Sn(C6H5)3(C10H12NOS2)] (II), is based on a heavily distorted tetrahedron owing to the asymmetric mode of coordination of the dithiocarbamate ligand. The persence… read more here.
Keywords: surface analyses; triphenyltin; hirshfeld surface; analyses hexyl ... See more keywords
Crystal structures and Hirshfeld surface analyses of bis(4,5-dihydrofuran-2-yl)dimethylsilane and (4,5-dihydrofuran-2-yl)(methyl)diphenylsilane
Sign Up to like & getrecommendations! Published in 2022 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989021012548
Abstract: The molecular and crystal structures of two dihydrofurylsilanes are reported. A Hirshfeld surface analysis was performed to investigate the intermolecular interactions. read more here.
Keywords: surface analyses; analyses bis; structures hirshfeld; crystal structures ... See more keywords
Syntheses, crystal structures and Hirshfeld surface analyses of bis(2-mercaptobenzimidazole)bromo- and iodocopper(I) complexes
Sign Up to like & getrecommendations! Published in 2022 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989022004224
Abstract: The title complexes feature distorted trigonal–planar CuS2 X (X = Br, I) coordination geometries for the metal ions. The presence of the acetone solvent molecule in the iodide complex plays an important role in the… read more here.
Keywords: syntheses crystal; surface analyses; structures hirshfeld; analyses bis ... See more keywords
Crystal structures and Hirshfeld surface analyses of tetrakis(4,5-dihydrofuran-2-yl)silane and tetrakis(4,5-dihydrofuran-2-yl)germane
Sign Up to like & getrecommendations! Published in 2023 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989023003158
Abstract: The crystal structures of a dihydrofurylsilane and a dihydrofurylgermane are reported. Hirshfeld surface analyses were performed to investigate the intermolecular interactions. read more here.
Keywords: tetrakis dihydrofuran; surface analyses; structures hirshfeld; crystal structures ... See more keywords