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CCDC 2009328: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"
(The Cambridge Crystallographic Data Centre (CCDC), 2020)
CUTBUR : bis(μ-azido-N1,N1)-diazido-bis(2-oxido-N,N,N-trimethyl-2-((1-(1,3-thiazol-2-yl)ethylidene)hydrazinylidene)ethan-1-aminium)-di-nickel tetrahydrate Space Group: P 21/c (14), Cell: a 13.2446(7)Å b 11.0402(6)Å c ...
Supporting information for: "Deoxyribonuclease I Inhibitory Properties, Molecular Docking and Molecular Dynamics Simulations of 1-(Pyrrolidin-2-yl)propan-2-one Derivatives"
(Switzerland : Wiley-Blackwell, 2021)
Experimental Section: 1.1. Chemicals. 1.2. Compounds. 1.3. Evaluation of deoxyribonuclease I inhibition. 1.4. In silico molecular and ADMET properties. 1.5. In silico PAINS and promiscuity assessment. 1.6. Molecular docking. ...
Supporting data for: "Deoxyribonuclease I Inhibitory Properties, Molecular Docking and Molecular Dynamics Simulations of 1-(Pyrrolidin-2-yl)propan-2-one Derivatives". Animation of molecular dynamics simulations I.
(Switzerland : Wiley-Blackwell, 2021)
Animation of molecular dynamics simulations: 1‐[1‐(4‐methoxyphenyl)pyrrolidin‐2‐yl]propan‐2‐one / DNase I
Supplementary material for: "Optimisation of isolation procedure for pyrrolizidine alkaloids from Rindera umbellata Bunge"
(Taylor & Francis, 2015)
Experimental details relating to the article: Mandić, B., Vlajic, M. D., Trifunović, S., Simić, M. R., Vujisić, L. V., Vučković, I., Novaković, M., Nikolic-Mandic, S. D., Tešević, V., Vajs, V.,& Milosavljević, S. (2015). ...
Supplementary material for: "New aurone epoxide and auronolignan from the heartwood of Cotinus coggygria Scop."
(Taylor and Francis Ltd., 2018)
Table S1. HPLC program for the quantification of the main compounds from the C. coggygria CH2Cl2/MeOH extract Figure S1. UV spectra of 14 in MeOH, with addition of AlCl3, and HCl Figure S2. UV spectra of compound 14 in ...
CCDC 607823: Experimental Crystal Structure Determination. Crystallographic data for "Regioselective synthesis of 1,3-thiazines by sequential 4-oxothiazolidine to 1,2-dithiole to 1,3-thiazine transformations: role of intramolecular non-bonded S/O interactions"
(The Cambridge Crystallographic Data Centre (CCDC), 2007)
JEYHOL : 2-methyl-6-phenyl-4λ4-[1,2]dithiolo[1,5-b][1,2,4]dithiazole Space Group: P 21/c (14), Cell: a 13.4197(7)Å b 7.2797(4)Å c 11.8980(6)Å, α 90° β 108.161(2)° γ 90°
Supporting Information for: "The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States"
(American Chemical Society (ACS), 2019)
Extended computational details and theoretical background, EDA analysis, IDP analysis, additional references and figures. Additional figures: Model for the manganocene dimer that was utilized to extract coupling constant, ...
CCDC 1917722: Experimental Crystal Structure Determination. Crystalographic data for "What Is the Nature of Interactions of BF4–, NO3–, and ClO4– to Cu(II) Complexes with Girard’s T Hydrazine? When Can Binuclear Complexes Be Formed?"
(The Cambridge Crystallographic Data Centre (CCDC), 2019)
HOSCOK : (N-[1-(pyridin-2-yl)ethylidene]-2-(trimethylazaniumyl)ethanehydrazonate)-nitrato-chloro-copper(ii) Space Group: P 21/c (14), Cell: a 10.1820(6)Å b 8.6362(6)Å c 18.7170(11)Å, α 90° β 95.178(5)° γ 90°
Supplementary material for: "Visible light promoted photoredox C(sp3)-H bond functionalization of tetrahydroisoquinolines in flow"
(Royal Society of Chemistry, 2021)
Full characterization data for all compounds.
Supporting information for: "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone"
(Elsevier, 2020)
Table S1. Structural and magnetic parameters of related bis(μ-1,1-azido) bridged Ni(II) complexes. Table S2. Hydrogen-bond parameters for complex 1a. Table S3. Hydrogen-bond parameters for complex 1b. Figure S1. Crystal ...