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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 ...
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
Complex 2 - Experimental Crystal Structure Determination. Crystallographic data for: "Nickel(II) and nickel(III) Thiosemicarbazone and Hydrazone Complexes: An Unexpected Journey"
(Elsevier, 2023)
Crystal data for complex 2.
Supplementary information for: "Decisive Influence of Environment on Aromatic/Aromatic Interaction Geometries. Comparison of Aromatic/Aromatic Interactions in Crystal Structures of Small Molecules and in Protein Structures"
(USA : American Chemical Society, 2021)
Additional graphics and tables; methodology, CSD and PDB searches; results from CSD search; calculations; results from PDB search.
CCDC 2110388: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"
(The Cambridge Crystallographic Data Centre (CCDC), 2022)
NAMYUZ : diazido-[2-oxy-N,N,N-trimethyl-2-{[1-(1,3-thiazol-2-yl)ethylidene]hydrazinylidene}ethan-1-aminium]-zinc Space Group: P 21/c (14), Cell: a 13.0826(10)Å b 10.2506(7)Å c 13.1685(13)Å, α 90° β 111.237(10)° γ 90°
The Supplementary data for: "Fungal oxidative and hydrolyzing enzymes as designers in the biological production of dietary fibers from triticale"
(Elsevier, 2021)
FTIR spectra of IDFT treatment with fungal enzymatic complex.
CCDC 2110386: Experimental Crystal Structure Determination. Crystallographic data for: "Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity"
(The Cambridge Crystallographic Data Centre (CCDC), 2022)
NAMYIN : azido-[2-oxy-N,N,N-trimethyl-2-{[1-(1,3-thiazol-2-yl)ethylidene]hydrazinylidene}ethan-1-aminium]-(methanol)-copper tetrafluoroborate Space Group: P 21/n (14), Cell: a 7.0033(3)Å b 10.8941(3)Å c 25.6059(9)Å, α 90° ...
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°
CCDC 1886535: 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)
HIYYEW : bis(μ-azido)-bis[2-(oxy)-N,N,N-trimethyl-2-{[1-(pyridin-2-yl)ethylidene]hydrazinylidene}ethan-1-aminiumato]-di-copper(ii) bis(perchlorate) Space Group: C 2/c (15), Cell: a 16.4095(6)Å b 13.6320(6)Å c 17.1507(8)Å, ...
Supporting Information for: "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone"
(American Chemical Society (ACS), 2019)
Comparison of the EPR spectra of 1 and 2 (Figure S1); additional Mössbauer spectra (Figures S2–S5); Kohn–Sham molecular orbitals with dominant metal d character (Figures S6–S8); calculated principal components of the ...