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dc.contributor.author | Chulvi, Katherine | es_ES |
dc.contributor.author | Costero Nieto, Ana María | es_ES |
dc.contributor.author | Ochando Gómez, Luis Enrique | es_ES |
dc.contributor.author | Gaviña, Pablo | es_ES |
dc.date.accessioned | 2016-07-05T06:15:44Z | |
dc.date.issued | 2015-07 | |
dc.identifier.issn | 1528-7483 | |
dc.identifier.uri | http://hdl.handle.net/10251/67068 | |
dc.description.abstract | [EN] The X-ray crystal structure of a racemic triarylcarbinol derivate ((±)-1) was determined. Compound (±)-1 crystallizes as a chiral structure in the noncentrosymmetric Sohncke space group P21 and the crystals show a special case of enantiomeric disorder with two molecules of opposite handedness sharing many of the atomic positions in the asymmetric unit. The corresponding (R)- and (S)-enantiomers of 1 were separated by chiral HPLC, and crystallized independently yielding single crystals of both of them. The X-ray diffraction analysis of the crystals allowed the determination of the absolute configuration of both enantiomers (R)-1 and (S)-1. Both enantiomers establish intermolecular hydrogen bonds in the solid state, which induce significant differences in their molecular arrangement when compared to racemic crystal (±)-1. | es_ES |
dc.description.sponsorship | We acknowledge the MINECO and European FEDER funds (MAT2012-38429-C04-02 project) and FPU scholarship for financial support. We also want to express our gratitude to ICMOL and University of Valencia for the instrumental used and especially to Prof. Duane Choquesillo-Lazarte and co-workers of the Laboratory for Crystallographic Studies (University of Granada-CSIC) for fruitful discussions. | |
dc.language | Inglés | es_ES |
dc.publisher | American Chemical Society | es_ES |
dc.relation.ispartof | Crystal Growth and Design | es_ES |
dc.rights | Reserva de todos los derechos | es_ES |
dc.title | Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space Group P21 | es_ES |
dc.type | Artículo | es_ES |
dc.embargo.lift | 10000-01-01 | |
dc.embargo.terms | forever | es_ES |
dc.identifier.doi | 10.1021/acs.cgd.5b00515 | |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//MAT2012-38429-C04-02/ES/QUIMIOSENSORES CROMOGENICOS Y FLUOROGENICOS PARA LA DETECCION DE EXPLOSIVOS Y GASES PELIGROSOS/ | es_ES |
dc.rights.accessRights | Cerrado | es_ES |
dc.contributor.affiliation | Universitat Politècnica de València. Instituto de Reconocimiento Molecular y Desarrollo Tecnológico - Institut de Reconeixement Molecular i Desenvolupament Tecnològic | es_ES |
dc.description.bibliographicCitation | Chulvi, K.; Costero Nieto, AM.; Ochando Gómez, LE.; Gaviña, P. (2015). Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space Group P21. Crystal Growth and Design. 15(7):3452-3456. https://doi.org/10.1021/acs.cgd.5b00515 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | http://dx.doi.org/10.1021/acs.cgd.5b00515 | es_ES |
dc.description.upvformatpinicio | 3452 | es_ES |
dc.description.upvformatpfin | 3456 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 15 | es_ES |
dc.description.issue | 7 | es_ES |
dc.relation.senia | 313982 | es_ES |
dc.contributor.funder | Ministerio de Economía y Competitividad |