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CCDC 1886534: Experimental Crystal Structure Determination. Crystallographic data for: "Highly-efficient N-arylation of imidazole catalyzed by Cu(II) complexes with quaternary ammonium-functionalized 2-acetylpyridine acylhydrazone"
(The Cambridge Crystallographic Data Centre (CCDC), 2019)
HIYYAS : chloro-[2-(oxy)-N,N,N-trimethyl-2-{[1-(pyridin-2-yl)ethylidene]hydrazinylidene}ethan-1-aminiumato]-perchlorato-copper(ii) Space Group: P 21/c (14), Cell: a 9.9406(2)Å b 9.5650(2)Å c 18.8796(5)Å, α 90° β 94.7120(10)° γ 90°
Supplementary material for: "Highly-efficient N-arylation of imidazole catalyzed by Cu(II) complexes with quaternary ammonium-functionalized 2-acetylpyridine acylhydrazone"
(Elsevier, 2019)
Table S1. Hydrogen-bond parameters for complexes 1 and 2. Fig. S1. Packing diagram of 1. Fig. S2. Crystal packing of 2. Table S2 Influence of the exchange-correlation functional and basis set on the calculated exchange ...
Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes"
(Wiley, 2018)
Table S1. Experimental and calculated bond lengths and bond angles for 1,4 isomer of BN-dibenzopentalene; Table S2. Spin densities in diradical state of 1,3 isomer of BN-dibenzopentalene obtained by Hirshfeld population ...
Supplementary information for: "Dissociative electron attachment and electronic excitation in Fe(CO)(5)"
(Royal Soc Chemistry, Cambridge, 2018)
Geometry of Fe(CO)5 (xyz coordinates); Excited states: Spin and dipole allowed transitions; Spin allowed, dipole forbidden transitions; Singlet-triplet transitions.
Supplementary Material for: "Mono BN-substituted analogues of naphthalene: a theoretical analysis of the effect of BN position on stability, aromaticity and frontier orbital energies"
(Royal Society for Chemistry, 2018)
All isomeric BN isosteres of naphthalene have been studied theoretically, at the B3LYP/6-311+G(d,p) level, in order to investigate the effect of the BN position in a molecule on relative stability, aromaticity and frontier ...
Supporting Information II for: "New Steroidal 4-Aminoquinolines Antagonize Botulinum Neurotoxin Serotype A in Mouse Embryonic Stem Cell Derived Motor Neurons in Postintoxication Model"
(American Chemical Society (ACS), 2018)
NMR spectra and HPLC purity spectra of all tested compounds
Supplementary Information for: "Novel 1,3,4-thiadiazole-chalcone hybrids containing catechol moiety: synthesis, antioxidant activity, cytotoxicity and DNA interaction studies"
(Royal Society of Chemistry, Cambridge, 2018)
Copies of 1H and 13C NMR spectra for 5a-m
Supplementary material for: "Kinetic modeling and optimization of sunflower oil methanolysis catalyzed by spherically-shaped CaO/gamma-Al2O3 catalyst"
(Elsevier, 2018)
Supplementary material for: Marinković, D., Miladinovic, M. R., Avramović, J. M., Krstic, I. B., Stanković, M., Stamenković, O., Jovanović, D. M.,& Veljković, V. B. (2018). Kinetic modeling and optimization of sunflower ...