| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Tumanov, Nikolay
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (12/12 displayed)
- 2023Secondary ion mass spectrometry, a powerful tool for revealing ink formulations and animal skins in medieval manuscriptscitations
- 2022Structural study of bioisosteric derivatives of 5-(1 H-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds
- 2021Triptycene Boronates, Boranes, and Boron Ate-Complexes
- 2020Using ammonia for reactive magnetron sputtering, a possible alternative to HiPIMS?citations
- 2020Synthesis, crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillincitations
- 2017Assessing density functional theory approaches for predicting the structure and relative energy of salicylideneaniline molecular switches in the solid statecitations
- 2017Synthesis, structures and thermal decomposition of ammine MxB12H12 complexes (M = Li, Na, Ca)citations
- 2017Solid Aluminum Borohydrides for Prospective Hydrogen Storagecitations
- 2017Synthesis, structures and thermal decomposition of ammine $mathrm{M_{x}B_{12}H_{12}}$ complexes (M = Li, Na, Ca)citations
- 2015Facile synthesis of anhydrous alkaline earth metal dodecaborates MB12H12 (M = Mg, Ca) from M(BH4)2citations
- 2015Manganese borohydride; synthesis and characterizationcitations
- 2015Manganese borohydride; synthesis and characterizationcitations
Places of action
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article
Structural study of bioisosteric derivatives of 5-(1 H-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds
Abstract
Recently, interest in the isosteric replacement of a nitrogen atom to selenium, sulfur or oxygen atoms has been highlighted in the design of potential inhibitors for cancer research. In this context, the structures of 5-(1H-indol-3-yl)-2,1,3-benzotriazole derivatives [5-(1H-indol-3-yl)-2,1,3-benzothiadiazole (bS, C14H9N3S) and 5-(1H-indol-3-yl)-2,1,3-benzoxadiazole (bO, C14H9N3O)], as well as a synthesis intermediate of the selenated bioisostere [5-[1-(benzensulfonyl)-1H-indol-3-yl]-2,1,3-benzoselenadiazole (p-bSe, C20H13N3O2SSe)] were determined using single-crystal X-ray diffraction (SCXRD) analyses. Despite being analogues, different crystal packing, torsion angles and supramolecular features were observed, depending on the substitution of the central atoms of the benzotriazole. In particular, chalcogen interactions were described in the case of p-bSe and not in the bS and bO derivatives. An investigation by ab initio computational methods was therefore conducted to understand the effect of the substitution on the ability to form chalcogen bonds and the flexibility of the compounds.