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dc.contributor.authorPalanisamy, V.
dc.contributor.authorSanphui, P.
dc.contributor.authorBolla, G.
dc.contributor.authorNarayan, Aditya
dc.contributor.authorSeaton, Colin C.
dc.contributor.authorVangala, Venu R.
dc.date.accessioned2020-08-12T18:57:14Z
dc.date.accessioned2020-08-14T13:58:27Z
dc.date.available2020-08-12T18:57:14Z
dc.date.available2020-08-14T13:58:27Z
dc.date.issued2020-08
dc.identifier.citationPalanisamy V, Sanphui P, Bolla G et al (2020) Intriguing High Z'' Cocrystals of Emtricitabine. Crystal Growth & Design. 20(8): 4886-4891.en_US
dc.identifier.urihttp://hdl.handle.net/10454/17968
dc.descriptionYesen_US
dc.description.abstractEmtricitabine (ECB) afforded dimorphic cocrystals (Forms I, II) of benzoic acid (BA), whereas with p-hydroxybenzoic acid (PHBA), p-aminobenzoic acid (PABA) are resulted in as high Z'' cocrystals. Intriguingly, the Z'' of cocrystals are trends from two to fourteen based on the manipulation of functional groups on the para position of BA (where H atom is replaced with that of OH or NH2 group). ECB‒PABA cocrystal consists of six molecules each and two water molecules in the asymmetric unit (Z''=14) with 2D planar sheets represents the rare pharmaceutical cocrystal. The findings suggest that the increment of H bond donor(s) systematically via a suitable coformer are in correspondence with attaining high Z'' cocrystals. Further, solid state NMR spectroscopy in conjunction with single crystal X-ray diffraction are demonstrated as significant tools to enhance the understanding of the number of symmetry independent molecules in the crystalline lattice and provide insights to the mechanistic pathways of crystallization.en_US
dc.description.sponsorshipDepartment of Science and Technology (DST) Fund for improvement of S & T Infrastructure (FIST) with grant no. SR/FST/CST-266/2015(c) to PS and VP. AN and VV acknowledge the Government of India under National Overseas Scholarship (2012-13) and High Commission of India, London UK for PhD studentship.en_US
dc.language.isoenen_US
dc.publisherCrystal Growth & Design
dc.relation.isreferencedbyhttps://doi.org/10.1021/acs.cgd.0c00744en_US
dc.rights© 2020 ACS. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth & Design, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.cgd.0c00744en_US
dc.subjectCocrystalsen_US
dc.subjectHigh Z' crystalsen_US
dc.subjectHigh Z" crystalsen_US
dc.subjectAnti-retroviral drugen_US
dc.subjectEmtricitabineen_US
dc.subjectSingle crystal X-ray diffractionen_US
dc.subjectSolid state NMR spectroscopyen_US
dc.titleIntriguing High Z'' Cocrystals of Emtricitabineen_US
dc.status.refereedYesen_US
dc.date.Accepted2020-07
dc.date.application2020-07-09
dc.typeArticleen_US
dc.type.versionAccepted manuscripten_US
dc.date.updated2020-08-12T17:57:26Z
refterms.dateFOA2020-08-14T13:59:26Z


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