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X-ray Crystallography
Crystallographic work of Olivier Blacque
Crystallographic work of Olivier Blacque
ZORA Publication List
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Publications
2024
Mukiza, Janvier; Habarurema, Gratien; Sezirahiga, Jurdas; Mukabagorora, Theonille; Nkuranga, Jean Bosco; Uwambajineza, Tite; Muyizere, Theoneste; Blacque, Olivier; Baziga, Gervais (2024).
Aqua-complexes of pyrimidine-4,6-dicarboxylic acid and its monoester with organometallic fac-[M(CO)3]+ (M = Re and 99mTc) core as radiopharmaceutical probes: Synthesis and characterization.
Journal of Organometallic Chemistry, 1021:123348.
Al-Wahaibi, Lamya H; Gudimetla, Seetha Rama Sastry; Blacque, Olivier; El-Emam, Ali A; Percino, M Judith; Thamotharan, Subbiah (2024).
Interplay of weak noncovalent interactions in (E)-4-chloro-N’-(thiophen-2-ylmethylene)benzohydrazide: Insights from Hirshfeld surface, PIXEL energy and QTAIM analyses.
Journal of Molecular Structure THEOCHEM, 1315:138822.
El Atrassi, Zakaria; Benzekri, Zakaria; Blacque, Olivier; Hökelek, Tuncer; Mazzah, Ahmed; Cherkaoui, Hassan; Sebbar, Nada Kheira (2024).
Crystal structure, Hirshfeld surface analysis, and calculations of intermolecular interaction energies and energy frameworks of 1-[(1-hexyl-1$H$-1,2,3-triazol-4-yl)methyl]-3-(1-methylethenyl)-benzimidazol-2-one.
Acta Crystallographica Section E: Crystallographic Communications, 80(10):1075-1080.
Sghyar, Riham; Lahyaoui, Mouad; El Ibrahimi, Brahim; Blacque, Olivier; Kartah, Badr Eddine; Ez-zoubi, Amine; Hökelek, Tuncer; Mague, Joel T; EL Hadrami, El Mestafa; Ben-Tama, Abdeslem; Sebbar, Nada Kheira (2024).
Newly synthesized based Schiff of phenylferrocene: Molecular and crystal structures, Density Functional Theory calculations, Hirshfeld surface analyses, and improved molecular docking data.
Journal of Molecular Structure THEOCHEM, 1314:138747.
Hosseininasab, Fatemeh S; Memarian, Hamid R; Rudbari, Hadi Amiri; Blacque, Olivier (2024).
A comparative study of X-ray structural analysis, DFT computations, and Hirshfeld surface analysis for decahydroacridine-1,8-diones.
Journal of the Iranian Chemical Society, 21(7):1997-2015.
Rivas, Feriannys; Del Mármol, Carolina; Scalese, Gonzalo; Pérez Díaz, Leticia; Machado, Ignacio; Blacque, Olivier; Salazar, Fabiana; Coitiño, E Laura; Benítez, Diego; Medeiros, Andrea; Comini, Marcelo; Gambino, Dinorah (2024).
Multifunctional Organometallic Compounds Active against Infective Trypanosomes: Ru(II) Ferrocenyl Derivatives with Two Different Bioactive Ligands.
Inorganic Chemistry, 63(25):11667-11687.
El Atrassi, Zakaria; Zouhair, Mustapha; Blacque, Olivier; Hökelek, Tuncer; Haoudi, Amal; Mazzah, Ahmed; Cherkaoui, Hassan; Sebbar, Nada Kheira (2024).
Crystal structure, Hirshfeld surface analysis, calculations of intermolecular interaction energies and energy frameworks and the DFT-optimized molecular structure of 1-[(1-butyl-1 $H$-1,2,3-triazol-4-yl)methyl]-3-(prop-1-en-2-yl)-1$H$-benzimidazol-2-one.
Acta Crystallographica Section E: Crystallographic Communications, 80(6):601-606.
Lin, Yan; Scalese, Gonzalo; Bulman, Christina A; Vinck, Robin; Blacque, Olivier; Paulino, Margot; Ballesteros-Casallas, Andres; Pérez Díaz, Leticia; Salinas, Gustavo; Mitreva, Makedonka; Weil, Tobias; Cariou, Kevin; Sakanari, Judy A; Gambino, Dinorah; Gasser, Gilles (2024).
Antifungal and Antiparasitic Activities of Metallocene-Containing Fluconazole Derivatives.
ACS Infectious Diseases, 10(3):938-950.
Csucker, Joshua; Decrausaz, Nathalie; Jäggi, Sarah Isabella; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger (2024).
Synthesis and Photophysical Evaluation of 3,3’‐Nitrogen Bis‐Substituted $fac$‐[Re(CO)$_3$(Diimine)Br] Complexes.
Helvetica Chimica Acta, 107(2):e202300239.
Taghizadeh Shool, Maryam; Amiri Rudbari, Hadi; Cuevas-Vicario, José V; Rodríguez-Rubio, Andrea; Stagno, Claudio; Iraci, Nunzio; Efferth, Thomas; Omer, Ejlal A; Schirmeister, Tanja; Blacque, Olivier; Moini, Nakisa; Sheibani, Esmail; Micale, Nicola (2024).
Investigating the Cytotoxicity of Ru(II) Polypyridyl Complexes by Changing the Electronic Structure of Salicylaldehyde Ligands.
Inorganic Chemistry, 63(2):1083-1101.
Roithmeyer, Helena; Sévery, Laurent; Moehl, Thomas; Spingler, Bernhard; Blacque, Olivier; Fox, Thomas; Iannuzzi, Marcella; Tilley, S David (2024).
Electrocatalytic Ammonia Oxidation with a Tailored Molecular Catalyst Heterogenized via Surface Host–Guest Complexation.
Journal of the American Chemical Society, 146(1):430-436.
Palmeira-Mello, Marcos V; Costa, Analu R; de Oliveira, Leticia P; Blacque, Olivier; Gasser, Gilles; Batista, Alzir A (2024).
Exploring the potential of ruthenium (ll)-phosphine–mercapto complexes as new anticancer agents.
Dalton Transactions, 53(26):10947-10960.
Forooghi, Kimia; Amiri Rudbari, Hadi; Stagno, Claudio; Iraci, Nunzio; Cuevas-Vicario, José V; Kordestani, Nazanin; Schirmeister, Tanja; Efferth, Thomas; Omer, Ejlal A; Moini, Nakisa; Aryaeifar, Mahnaz; Blacque, Olivier; Azadbakht, Reza; Micale, Nicola (2024).
Structural features and antiproliferative activity of Pd($ \mathrm{II} $) complexes with halogenated ligands: a comparative study between Schiff base and reduced Schiff base complexes.
Dalton Transactions, 53(25):10571-10591.
Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai (2024).
Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.
Organic & Biomolecular Chemistry, 22(16):3279-3286.
Aryaeifar, Mahnaz; Rudbari, Hadi Amiri; Moreno-Pineda, Eufemio; Cuevas-Vicario, José V; Paul, Sagar; Schulze, Michael; Wernsdorfer, Wolfgang; Lloret, Francisco; Moini, Nakisa; Blacque, Olivier (2024).
Synthesis, characterization and magnetic properties of halogenated tetranuclear cubane-like nickel($ \mathrm{II}$) complexes.
New Journal of Chemistry, 48(8):3603-3613.
2023
Gourdon‐Grünewaldt, Lisa; Blacque, Olivier; Gasser, Gilles; Cariou, Kevin (2023).
Towards Copper(I) Clusters for Photo‐Induced Oxidation of Biological Thiols in Living Cells**.
Chembiochem, 24(23):e202300496.
Al-Wahaibi, Lamya H; Mangaiyarkarasi, Sivashanmugam; Blacque, Olivier; Hassan, Hanan M; El-Emam, Ali A; Percino, M Judith; Thamotharan, Subbiah (2023).
Unusual short intramolecular N–H⋅⋅⋅H–C contact and weak intermolecular interactions in two N-(adamantan-1-yl)piperazine carbothioamides: Crystallography, quantum chemical study and in vitro urease inhibitory activity.
Journal of Molecular Structure THEOCHEM, 1291:136052.
Al-Omary, Fatmah A M; Blacque, Olivier; Alanazi, Fahdah S; Tiekink, Edward R T; El-Emam, Ali A (2023).
Crystal structure of 2-[(4-bromobenzyl)thio]- 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C$_{13}$H$_{8}$Br$_{2}$N$_{2}$OS$_{2}$.
Zeitschrift für Kristallographie - New Crystal Structures, 238(5):911-913.
Battistin, Federica; Fernandes, Célia; Raposinho, Paula D; Blacque, Olivier; Paulo, Antonio; Alberto, Roger (2023).
In vivo and in vitro studies of [M(η$^6$-pseudoerlotinib)$_2$]$^+$ sandwich complexes (M = Re, 99m$_T$$_c$).
Dalton Transactions, 52(43):15757-15766.
Wang, Youchao; Felder, Patrick S; Mesdom, Pierre; Blacque, Olivier; Mindt, Thomas L; Cariou, Kevin; Gasser, Gilles (2023).
Towards Ruthenium(II)‐Rhenium(I) Binuclear Complexes as Photosensitizers for Photodynamic Therapy.
Chembiochem, 24(19):e202300467.
Mukiza, Janvier; Habarurema, Gratien; Nkuranga, Jean Bosco; Sezirahiga, Jurdas; Akin-Ojo, Omololu; Nkurunziza, Jean Baptiste; Kampire, Edwidge; Gakuba, Emmanuel; Blacque, Olivier (2023).
Thiocyanate-induced N-activation and nucleophilic 1,2-dearomatization of pyridinedicarbonyl dichloride: a synthetic route to a novel 1,2-dihydropyridine-based heterocyclic compound.
Journal of the Iranian Chemical Society, 20(10):2657-2664.
Al-Wahaibi, Lamya H; Blacque, Olivier; Tiekink, Edward R T; El-Emam, Ali A (2023).
Crystal structure of 4-chloro-$N$′-[(1$E$)-(2-nitrophenyl)methylidene]benzohydrazide, C$_{14}$H$_{10}$ClN$_3$O$_3$.
Zeitschrift für Kristallographie - New Crystal Structures, 238(4):631-633.
Woods, Joseph F; Gallego, Lucía; Maisch, Amira; Renggli, Dominik; Cuocci, Corrado; Blacque, Olivier; Steinfeld, Gunther; Kaech, Andres; Spingler, Bernhard; Vargas Jentzsch, Andreas; Rickhaus, Michel (2023).
Saddles as rotational locks within shape-assisted self-assembled nanosheets.
Nature Communications, 14(1):4725.
Al-Wahaibi, Lamya H; Blacque, Olivier; Tiekink, Edward R T; El-Emam, Ali A (2023).
Crystal structure of 4-chloro-$N$′-[(1$E$)-pyridin-3-ylmethylidene]benzohydrazide, C$_{13}$H$_{10}$ClN$_3$O.
Zeitschrift für Kristallographie - New Crystal Structures, 238(3):517-520.
Mani, Asma; Feng, Tao; Gandioso, Albert; Vinck, Robin; Notaro, Anna; Gourdon, Lisa; Burckel, Pierre; Saubaméa, Bruno; Blacque, Olivier; Cariou, Kevin; Belgaied, Jamel‐Eddine; Chao, Hui; Gasser, Gilles (2023).
Structurally Simple Osmium(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy in the Near Infrared**.
Angewandte Chemie Internationale Edition, 62(20):e202218347.
Bohnhoff-Müller, Sherin; Yadav, Prerna; Spingler, Bernhard; Blacque, Olivier; Zelder, Felix (2023).
An Al-salen complex for the fluorometric detection of pyrophosphate in water via a disassembly approach.
Journal of Porphyrins and Phthalocyanines, 27(1-4):661-669.
Al-Sanea, Mohammad M; Blacque, Olivier; Mohamed, Ahmed A B; Tiekink, Edward R T; El-Emam, Ali A (2023).
Crystal structure of $N$-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carbothioamide, C$_1$$_8$H$_1$$_7$BrF$_3$N$_3$S.
Zeitschrift für Kristallographie - New Crystal Structures, 238(2):285-288.
Al-Wahaibi, Lamya H; Blacque, Olivier; Al-Shaalan, Nora H; Tiekink, Edward R T; El-Emam, Ali A (2023).
Crystal structure of 2-({[5-(adamantan-2-yl)-2-sulfanylidene-1,3,4-oxadiazolidin-3-yl]methyl}amino)benzonitrile, C20H22N4OS.
Zeitschrift für Kristallographie - New Crystal Structures, 238(2):159-161.
Battistin, Federica; Fox, Thomas; Blacque, Olivier; Alberto, Roger (2023).
Reactivities of [Re(η6-C6H6)(η6-C10H8)]+ and [Re(η6-C10H8)2]+ with Cyclic, Nonaromatic Polyenes.
ACS Applied Bio Materials, 42(9):838-845.
Bolliger, Robin; Siebenmann, Lukas; Wolf, Emily; Ross, Megan; Meola, Giuseppe; Blacque, Olivier; Braband, Henrik; Alberto, Roger (2023).
Exploring Rhenium Arene Piano-Stool Chemistry with [Re(η6-C6H6)(NCCH3)3]+: A Powerful Semi-Solvated Precursor.
Inorganic Chemistry, 62(10):4227-4237.
Mahe, Capucine; Blacque, Olivier; Gasser, Gilles; Gandon, Vincent; Cariou, Kevin (2023).
N-Metallocenyl Ynamides: Preparation, Reactivity, and Synthesis of ansa[3]-Ferrocenylamides.
Organic Letters, 25(4):624-629.
Ebrahimi, Fatemeh; Memarian, Hamid Reza; Rudbari, Hadi Amiri; Blacque, Olivier (2023).
Non-oxidative photoreaction of 1,3,5-triaryl-2-pyrazoline-4-ol (4-methoxy) derivatives.
Journal of Photochemistry and Photobiology A: Chemistry, 435:114306.
Al-Wahaibi, Lamya H; Blacque, Olivier; Al-Shaalan, Nora H; Tiekink, Edward R T; El-Emam, Ali A (2023).
Crystal structure of N-ethyl-4-[3-(trifluoromethyl)-phenyl]piperazine-1-carbothioamide, C14H18F3N3S.
Zeitschrift für Kristallographie - New Crystal Structures, 238(1):45-47.
Čavlović, Daniel; Blacque, Olivier; Krummenacher, Ivo; Braunschweig, Holger; Ravat, Prince; Juricek, Michal (2023).
Dimethylnonacethrene – en route to a magnetic switch.
Chemical Communications, 59(50):7743-7746.
Al-Wahaibi, Lamya H; Alagappan, Kowsalya; Gomila, Rosa M; Blacque, Olivier; Frontera, Antonio; Percino, M Judith; El-Emam, Ali A; Thamotharan, Subbiah (2023).
A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking.
RSC Advances, 13(48):34064-34077.
Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed (2023).
Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal.
CrystEngComm, 25(3):365-377.
Karges, Johannes; Giardini, Miriam A; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M (2023).
Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.
Chemical Science, 14(3):711-720.
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