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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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Wouters, Johan
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (18/18 displayed)
- 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
- 2020Synthesis, crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillincitations
- 2020Complex mineralogical-geochemical sequences and weathering events in the supergene ore of the Cu–Co Luiswishi deposit (Katanga, D.R. Congo)citations
- 2017Assessing density functional theory approaches for predicting the structure and relative energy of salicylideneaniline molecular switches in the solid statecitations
- 2015Structural and energy insights on solid-state complexes with trimethoprim: A combined theoretical and experimental investigationcitations
- 2014How cocrystallization affects solid-state tautomerism : Stanozolol case studycitations
- 2013On the influence of using a zwitterionic coformer for cocrystallizationcitations
- 2013Structural study of prolinium/fumaric acid zwitterionic cocrystalscitations
- 2012Crystal structures of low-melting ionic transition-metal complexes with N-alkylimidazole ligandscitations
- 2010Cobalt(II) complexes of nitrile-functionalized ionic liquidscitations
- 2010On the fractional crystallization of palm olein:Solid solutions and eutectic solidificationcitations
- 2010Qingheiite-(Fe2+), Na2Fe2+MgAl(PO 4)3, a new phosphate mineral from the Sebastião Cristino pegmatite, Minas Gerais, Brazilcitations
- 2010Advantages of cocrystallization in the field of solid-statepharmaceutical chemistrycitations
- 2007Expedient, direct synthesis of (L)Pt(0)(1,6-diene) complexes from H 2PtCl6citations
- 2006Determination of physical changes of inulin related to sorption isothermscitations
- 2005Head-on immobilization of DNA fragments on CVD-diamond layers
- 2000Use of Theoretical Descriptors to Characterize Cation-π Binding Sites in (Macro)molecules
Places of action
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article
Synthesis, crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillin
Abstract
<p>The condensation reaction of 2-mercapto-3-methoxybenzaldehyde with 3-aminopyridine afforded an unexpected N-alkylated [1,5]dithiocine instead of the N-salicylideneaniline. The proposed mechanism for this condensation involves a strong intramolecular hydrogen bond between the thiol and the amine groups, leading to a second condensation. The corresponding product, i.e. 4,10-dimethoxy-13-(pyridin-3-yl)-6H,12H-6,12-epiminodibenzo[b,f][1,5]dithiocine methanol 0.463-solvate, C21H18N2O2S2·0.463CH3OH, was characterized by single-crystal X-ray diffraction analysis. The supramolecular structure shows π-π stacking and S⋯S interactions in the crystal packing. Within the asymmetric unit, two geometries of the N atom are observed. Although a planar geometry should be expected, a pyramidal one is observed due to the crystal packing. The presence of the two geometries was further supported by density functional theory (DFT) calculations that show an electronic energy difference of less than 2 kJ mol<sup>-1</sup> between the two conformers.</p>