Sergiu Shova
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View article: Crystal structure, Hirshfeld surface and energy framework analysis of bis{3-(benzofuran-6-yl)-5-[6-(1 <i>H</i> -pyrazol-1-yl)pyridin-2-yl]-1 <i>H</i> -1,2,4-triazol-1-ido}iron(II) methanol disolvate
Crystal structure, Hirshfeld surface and energy framework analysis of bis{3-(benzofuran-6-yl)-5-[6-(1 <i>H</i> -pyrazol-1-yl)pyridin-2-yl]-1 <i>H</i> -1,2,4-triazol-1-ido}iron(II) methanol disolvate Open
The title compound, [Fe(C 18 H 11 N 6 O) 2 ]·2CH 3 OH, crystallizes in the orthorhombic space group Pbcn (No. 60) with half of the complex molecule and a methanol molecule in the asymmetric unit. In the complex, the two tridentate 3-(benzo…
View article: Crystal structure, Hirshfeld analysis and electrochemical properties of poly[diaquabis[μ<sub>6</sub>-2-cyano-2-(oxidoimino)acetato]copper(II)disodium]
Crystal structure, Hirshfeld analysis and electrochemical properties of poly[diaquabis[μ<sub>6</sub>-2-cyano-2-(oxidoimino)acetato]copper(II)disodium] Open
The title compound, [Na 2 Cu(C 3 N 2 O 3 ) 2 (H 2 O) 2 ] n , is a three-dimensional coordination polymer composed of divalent copper-centered complex anions, linked by sodium and water molecules. The copper(II) ion adopts a distorted octah…
View article: Synthesis, crystal structure, Hirshfeld surface analysis, and energy framework of bis{3-(4-bromophenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}nickel(II) methanol disolvate and comparison with its chloro-substituted analogue
Synthesis, crystal structure, Hirshfeld surface analysis, and energy framework of bis{3-(4-bromophenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}nickel(II) methanol disolvate and comparison with its chloro-substituted analogue Open
The unit cell of the title compound, [Ni(C 16 H 10 BrN 6 ) 2 ]·2CH 3 OH, contains a neutral complex and two methanol molecules. The Ni II ion adopts a pseudooctahedral geometry, coordinated by two tridentate ligands via pyrazole, pyridine,…
View article: Functionalized Polyphenols: Understanding Polymorphism of 2-Chloro-3′,4′-Diacetoxy-Acetophenone
Functionalized Polyphenols: Understanding Polymorphism of 2-Chloro-3′,4′-Diacetoxy-Acetophenone Open
We report here an in-depth study concerning the synthesis, NMR, and X-ray structure determination of two new polymorphs of 2-chloro-3′,4′-diacetoxy-acetophenone. A new, ecologically friendly method of synthesis in the solid phase, as well …
View article: Functionalized Indolizines as Potential Anticancer Agents: Synthetic, Biological and In Silico Investigations
Functionalized Indolizines as Potential Anticancer Agents: Synthetic, Biological and In Silico Investigations Open
Three new series of indolizines (5a–f, 6a–f and 7a–g), functionalized with bromine or ethyl ester substituents on the pyridine ring, were designed and synthesized as promising anticancer agents. The synthesis of indolizine derivatives was …
View article: Crystal structure of bis{3-(benzo[<i>d</i>][1,3]dioxol-5-yl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}nickel(II) methanol disolvate
Crystal structure of bis{3-(benzo[<i>d</i>][1,3]dioxol-5-yl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}nickel(II) methanol disolvate Open
The unit cell of the title compound, [Ni(C 17 H 11 N 6 O 2 ) 2 ]·2CH 3 OH, consists of a neutral complex and two methanol molecules. In the complex, the two tridentate 2-[3-(benzo[ d ][1,3]dioxol-5-yl)-1 H -1,2,4-triazol-5-yl]-6-(1 H -pyra…
View article: Diethyl 3-(4-Bromobenzoyl)-7-(4-pyridyl)indolizine-1,2-dicarboxylate
Diethyl 3-(4-Bromobenzoyl)-7-(4-pyridyl)indolizine-1,2-dicarboxylate Open
The title compound, C26H21BrN2O5 (Compound 4), was obtained via our previously described procedure with modifications, i.e., via a facile one-pot three component reaction starting from commercially available materials. Compound 4 was cryst…
View article: Front Cover: Revisiting Fused‐Pyrrolo‐1,10‐Phenanthroline Derivatives: Novel Transformations and Stability Studies (ChemistryOpen 7/2025)
Front Cover: Revisiting Fused‐Pyrrolo‐1,10‐Phenanthroline Derivatives: Novel Transformations and Stability Studies (ChemistryOpen 7/2025) Open
In their Research Article (10.1002/open.202400365), Alina Nicolescu, Ramona Danac, and co‐workers develop new pyrrolo[3´,4´:3,4]pyrrolo[1,2‐a][1,10]phenanthroline derivatives and investigate their stabilities and transformations. The cover…
View article: Molecular Docking Observations on Enantiomeric Retention Trends and Selection of Chiral Stationary Phase
Molecular Docking Observations on Enantiomeric Retention Trends and Selection of Chiral Stationary Phase Open
This study explores molecular docking as a predictive tool for enantiomeric separations in supercritical fluid chromatography, focusing on the binding mechanisms of chiral stationary phases. The enantiomeric separation of five chiral molec…
View article: Unlocking the potential of trifluoromethyl pyrrole derivatives in chronic wounds management: rapid synthesis, structural insights, and potent antimicrobial activity
Unlocking the potential of trifluoromethyl pyrrole derivatives in chronic wounds management: rapid synthesis, structural insights, and potent antimicrobial activity Open
Using a one-pot, three-component approach, we synthesised 25 dihydropyrrol-2-one and two 5-oxo-2,5-dihydrofuran compounds, each featuring two trifluoromethyl groups. This method emphasises timeliness and cost-effectiveness, crucial in drug…
View article: (Z)-4-(Azulen-1-ylmethylene)-2-phenyloxazol-5(4H)-one
(Z)-4-(Azulen-1-ylmethylene)-2-phenyloxazol-5(4H)-one Open
The title compound, i.e., (Z)-4-(azulen-1-ylmethylene)-2-phenyloxazol-5(4H)-one (3), has previously been synthesized in a good yield (56%) using the Erlenmeyer–Plöchl procedure. The crystal structure of 3 is described herein along with the…
View article: Revisiting Fused‐Pyrrolo‐1,10‐Phenanthroline Derivatives: Novel Transformations and Stability Studies
Revisiting Fused‐Pyrrolo‐1,10‐Phenanthroline Derivatives: Novel Transformations and Stability Studies Open
In this study, new pyrrolo[3',4':3,4]pyrrolo[1,2‐ a ][1,10]phenanthroline derivatives are developed and their stabilities and transformation pathways are investigated. The synthetic approach toward these novel derivatives include a pivotal…
View article: Investigation of Optical Properties and Biological Activities of Antimony(III) Halide Templated by 2,2′-Bipyridinium for Optoelectronic Devices
Investigation of Optical Properties and Biological Activities of Antimony(III) Halide Templated by 2,2′-Bipyridinium for Optoelectronic Devices Open
This study provides a comprehensive analysis of the optical properties of hybrid compound [C10H10N2]2(SbCl4)2·2Cl, using diffuse reflectance spectroscopy. The measurements were conducted over a 200-1100 nm spectral range. The optical band …
View article: Synthesis, optical features, and electrical properties of a new antimony-based hybrid halide (C <sub>8</sub> H <sub>14</sub> N <sub>2</sub> )[SbCl <sub>5</sub> ]
Synthesis, optical features, and electrical properties of a new antimony-based hybrid halide (C <sub>8</sub> H <sub>14</sub> N <sub>2</sub> )[SbCl <sub>5</sub> ] Open
A new antimony-based organic–inorganic hybrid, (C 8 H 14 N 2 )[SbCl 5 ], was synthesized by slow evaporation and characterized using complementary experimental and theoretical methods.
View article: Multifunctional Eu(<scp>iii</scp>) and Sm(<scp>iii</scp>) coordination polymers built with silane-bridged dicarboxylate ligand: structure, luminescence and magnetism
Multifunctional Eu(<span>iii</span>) and Sm(<span>iii</span>) coordination polymers built with silane-bridged dicarboxylate ligand: structure, luminescence and magnetism Open
Multifunctional Eu- and Sm-based CPs built from silane-bridged dicarboxylate ligand: 2D materials exhibiting exceptional luminescence and SMM behaviour.
View article: Comprehensive structural and DFT analysis of a newly synthesized bismuth-based organic–inorganic hybrid material: in-depth insights into vibrational, optical, and photoluminescence properties of (C <sub>8</sub> H <sub>14</sub> N <sub>2</sub> ) <sub>2</sub> [Bi <sub>2</sub> Br <sub>10</sub> ]·2H <sub>2</sub> O
Comprehensive structural and DFT analysis of a newly synthesized bismuth-based organic–inorganic hybrid material: in-depth insights into vibrational, optical, and photoluminescence properties of (C <sub>8</sub> H <sub>14</sub> N <sub>2</sub> ) <sub>2</sub> [Bi <sub>2</sub> Br <sub>10</sub> ]·2H <sub>2</sub> O Open
A newly synthesized bismuth-based organic–inorganic hybrid material, (C 8 H 14 N 2 ) 2 [Bi 2 Br 10 ]·2H 2 O, was synthesized using a slow evaporation technique and thoroughly characterized to explore its structural, vibrational, optical, a…
View article: Physical properties and cytotoxicity of Cu( <scp>ii</scp> ) and Zn( <scp>ii</scp> ) complexes with a TMS-substituted indolo[2,3- <i>c</i> ]quinoline-derived Schiff base
Physical properties and cytotoxicity of Cu( <span>ii</span> ) and Zn( <span>ii</span> ) complexes with a TMS-substituted indolo[2,3- <i>c</i> ]quinoline-derived Schiff base Open
The HLTMS, Cu(HL TMS )Cl 2 (1) and Zn(HL TMS )Cl 2 (2) induce mitochondrial disturbance contributing to their cytotoxicity.
View article: Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)
Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br) Open
A novel supramolecular hybrid compound, (C8H14N2)4·(TeBr6)3·2(Br), was synthesized at room temperature through slow evaporation and thoroughly characterized. Single-crystal X-ray diffraction analysis revealed its monoclinic structure (spac…
View article: Synthesis of Antimicrobial Norlabdane Compounds with Rearranged Cycle B and Molecular Docking Studies
Synthesis of Antimicrobial Norlabdane Compounds with Rearranged Cycle B and Molecular Docking Studies Open
The synthesis of tetra- and pentanorlabdane compounds with rearranged cycle B based on commercially available (+)-sclareolide is reported. Desired compounds were prepared from intermediate ketones via Baeyer–Villiger oxidation. The structu…
View article: Synthesis of Antibacterial Norlabdane Compounds with Rearranged Cycle B and Molecular Docking Studies
Synthesis of Antibacterial Norlabdane Compounds with Rearranged Cycle B and Molecular Docking Studies Open
The synthesis of tetra- and pentanorlabdane compounds with rearranged cycle B based on commercially available (+)-sclareolide is reported. Desired compounds were prepared from intermediate ketones via Baeyer-Villiger oxidation. The structu…
View article: Crystal structure of bis{5-(4-chlorophenyl)-3-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1<i>H</i>-1,2,4-triazol-1-ido}nickel(II) methanol disolvate
Crystal structure of bis{5-(4-chlorophenyl)-3-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1<i>H</i>-1,2,4-triazol-1-ido}nickel(II) methanol disolvate Open
The unit cell of the title compound, [Ni(C 16 H 10 ClN 6 ) 2 ]·2CH 3 OH, consists of a neutral complex and two methanol molecules. In the complex, the two tridentate 2-(3-(4-chlorophenyl)-1 H -1,2,4-triazol-5-yl)-6-(1 H -pyrazol-1-yl)pyrid…
View article: Structural asymmetry, physicochemical characterization and optical properties of a new luminescent zero dimensional organic-inorganic hybrid compound
Structural asymmetry, physicochemical characterization and optical properties of a new luminescent zero dimensional organic-inorganic hybrid compound Open
A novel 0D organic–inorganic hybrid antimony-based halide [((R)-C8H12N)4](Sb2Cl10) was achieved through a slow evaporation method at room temperature. Single crystal X-ray diffraction analysis revealed that the compound crystallizes in the…
View article: Structure and Peculiarities of <sup>1</sup> H NMR‐Spectra of Palladium(II) Complexes with 3‐(2‐pyridyl)‐5‐Alkyl‐1,2,4‐triazoles
Structure and Peculiarities of <sup>1</sup> H NMR‐Spectra of Palladium(II) Complexes with 3‐(2‐pyridyl)‐5‐Alkyl‐1,2,4‐triazoles Open
A series of chelating N N proligands, 3‐(2‐pyridyl)‐5‐alkyl‐1,2,4‐triazoles (HL Alk ), where alkyl=methyl, ethyl, isopropyl, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl was used as building blocks for designing of coordination compoun…
View article: Steroidal 21-imidazolium salt derivatives: Synthesis and anticancer activity
Steroidal 21-imidazolium salt derivatives: Synthesis and anticancer activity Open
Nitrogen-containing steroids are known as prostate cancer therapeutics. In this work, a series of pregnane derivatives bearing an imidazolium moiety were synthesized using Δ16-20-ketones as starting material. An improved approach for the c…
View article: Synthesis, X-ray Diffraction and Computational Druglikeness Evaluation of New Pyrrolo[1,2-a][1,10]Phenanthrolines Bearing a 9-Cyano Group
Synthesis, X-ray Diffraction and Computational Druglikeness Evaluation of New Pyrrolo[1,2-a][1,10]Phenanthrolines Bearing a 9-Cyano Group Open
New 9-cyano-pyrrolo[1,2-a][1,10]phenanthrolines 5a–d, obtained by a 1,3-dipolar cycloaddition reaction between the corresponding N-ylides of 1,10-phenanthrolinium bromides 2a–d, generated in situ and acrylonitrile as a dipolarophile, were …
View article: Crystal structure of polymeric bis(3-amino-1<i>H</i>-pyrazole)cadmium diiodide
Crystal structure of polymeric bis(3-amino-1<i>H</i>-pyrazole)cadmium diiodide Open
The reaction of cadmium iodide with 3-aminopyrazole (3-apz) in ethanolic solution leads to tautomerization of the ligand and the formation of crystals of the title compound, catena -poly[[diiodidocadmium(II)]-bis(μ-3-amino-1 H -pyrazole)-κ…
View article: Synthesis, X-ray and antibacterial activity of new copper(II) thiosemicarbazone complexes derived from 4-formyl-3-hydroxy-2-naphthoic acid
Synthesis, X-ray and antibacterial activity of new copper(II) thiosemicarbazone complexes derived from 4-formyl-3-hydroxy-2-naphthoic acid Open
New thiosemicarbazone ligand derived from 4-formyl-3-hydroxy-2-naphthoic acid (H3L·CH3OH (1)) and their two copper(II) complexes with composition [Cu(H2L)Cl]2.2(dmf) (2), [Cu(H2L)NO3(dmf)] (3) were synthesized and characterized by thermal …
View article: Characterization of new hybrid material based on 5-amino-3-methyl-1-phenyl-1H-1,2,4-triazole and bismuth: Hydrothermal synthesis, structural analysis, thermal behavior, vibrational and optical properties, and Hirshfeld surface calculations
Characterization of new hybrid material based on 5-amino-3-methyl-1-phenyl-1H-1,2,4-triazole and bismuth: Hydrothermal synthesis, structural analysis, thermal behavior, vibrational and optical properties, and Hirshfeld surface calculations Open
The new interesting organic-inorganic hybrid compound with the title (C9H12N4)2[BiBr6].Cl.4H2O was synthesized and grown using the hydrothermal method. Single-crystal X-ray diffraction analysis revealed that the new supramolecular compound…