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dc.contributor.authorDavey, R.J.*
dc.contributor.authorSadiq, G.*
dc.contributor.authorSeaton, Colin C.*
dc.contributor.authorPritchard, R.G.*
dc.contributor.authorCoquerel, G.*
dc.contributor.authorRougeot, C.*
dc.date.accessioned2016-11-02T16:10:59Z
dc.date.available2016-11-02T16:10:59Z
dc.date.issued2014-06-07
dc.identifier.citationDavey RJ, Sadiq G, Seaton CC et al (2014) Racemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one. CrystEngComm. 16(21): 4377-4381.en_US
dc.identifier.urihttp://hdl.handle.net/10454/10194
dc.descriptionNoen_US
dc.description.abstractThe triazoylketone discussed in this paper crystallises from racemic solutions as a conglomerate. Here, we report the ternary phase diagram confirming the conglomerate behaviour of this molecule. Through computation we also explore the underlying reasons for the absence of a racemic compound in this system and the evident epitaxial crystallisation leading to crystals of almost racemic compositions but which retain the crystal structure of the pure enantiomer.en_US
dc.description.sponsorshipEU-project ‘IntEnant’, Integrated Synthesis and Purification of Enantiomersen_US
dc.language.isoenen_US
dc.relation.isreferencedbyhttp://pubs.rsc.org/en/content/articlelanding/2014/ce/c4ce00615a#!divAbstracten_US
dc.subjectCrystallisation; Chiral resolution; Conglomeratesen_US
dc.titleRacemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4- dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-oneen_US
dc.status.refereedYesen_US
dc.date.Accepted2014-04-11
dc.date.application2014-04-11
dc.typeArticleen_US
dc.type.versionNo full-text in the repositoryen_US


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