0000000001302115

AUTHOR

Oriol Vallcorba

showing 5 related works from this author

Synthesis and crystal structures of two novel triazolopyridine compounds solved by local L.S. minimizations from powder diffraction data

2014

The heteroaryl-substituted triazolopyridines 3-phenyl-7-(pyrazin-2-yl)-[1,2,3]triazolo[1,5-a]pyridine (2) and 3-[6-(pyridazin-3-yl)-pyridin-2-yl]-[1,2,3]triazolo[1,5-a]pyridine (4) have been synthesized and characterized (by HRMS, IR,1H and13C NMR, XRPD, melting point). The crystal structures have been solved from laboratory powder X-ray diffraction data with the direct-space strategy TALP for molecular compounds based on fast local least-squares minimizations. The crystal structure confirmed the formation of the tridentate compound4from a ring chain isomerization process. The almost planar arrangement of atoms in both the structures favors the presence of intermolecularπ–πinteractions, alt…

CrystallographyRadiationMaterials scienceGeneral Materials ScienceTriazolopyridineCrystal structureCondensed Matter PhysicsInstrumentationPowder diffractionPowder Diffraction
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Application of delta recycling to electron automated diffraction tomography data from inorganic crystalline nanovolumes

2013

δ Recycling is a simple procedure for directly extracting phase information from Patterson-type functions [Rius (2012). Acta Cryst. A68, 399-400]. This new phasing method has a clear theoretical basis and was developed with ideal single-crystal X-ray diffraction data. On the other hand, introduction of the automated diffraction tomography (ADT) technique has represented a significant advance in electron diffraction data collection [Kolb et al. (2007). Ultramicroscopy, 107, 507-513]. When combined with precession electron diffraction, it delivers quasi-kinematical intensity data even for complex inorganic compounds, so that single-crystal diffraction data of nanometric volumes are now availa…

Diffraction[delta] recycling; direct methods; structure solution; electron diffraction; automated diffraction tomography; nano electron diffraction; precession electron diffraction; nanocrystals.Reflection high-energy electron diffractionMaterials scienceGas electron diffractionAnalytical chemistrydirect methodsDiffraction tomographyprecession electron diffractionElectron diffractionnanocrystalsStructural BiologyDirect methodsstructure solutionautomated diffraction tomographynano electron diffractionPrecession electron diffractionelectron diffractionElectron backscatter diffraction[delta] recycling
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Synthesis and structural properties of hexaaza[5]helicene containing two [1,2,3]triazolo[1,5-a]pyridine moieties

2013

Abstract We have synthesized a novel hexaaza[5]helicene in a straightforward way from neocuproine. The crystal structure has been elucidated with direct-space strategy TALP which demonstrates the power of the powder X-ray diffraction technique. In this crystal structure it is possible to see an interplanar angle of 33(1)° between the two triazolopyridine rings. The centrosymmetric crystal structure is a racemic mixture, but the resolution was not possible due to a ring-chain isomerization in a solution that produces a dynamic racemization.

010405 organic chemistryStereochemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic ChemistryCrystal structure010402 general chemistry01 natural sciencesBiochemistry0104 chemical sciencesNeocuproinechemistry.chemical_compoundCrystallographychemistryHeliceneDrug DiscoveryPyridineRacemic mixtureTriazolopyridineRacemizationIsomerization
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CCDC 1489441: Experimental Crystal Structure Determination

2016

Related Article: Oriol Vallcorba, Rosa Adam, Jordi Rius, Rafael Ballesteros, José M. Amigó and Belén Abarca|2014|Powder Diffr.|29|331|doi:10.1017/S0885715614000402

Space GroupCrystallography3-(6-(pyridazin-3-yl)pyridin-2-yl)[123]triazolo[15-a]pyridineCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1489440: Experimental Crystal Structure Determination

2016

Related Article: Oriol Vallcorba, Rosa Adam, Jordi Rius, Rafael Ballesteros, José M. Amigó and Belén Abarca|2014|Powder Diffr.|29|331|doi:10.1017/S0885715614000402

Space GroupCrystallographyCrystal System3-phenyl-7-(pyrazin-2-yl)[123]triazolo[15-a]pyridineCrystal StructureCell ParametersExperimental 3D Coordinates
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