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dc.contributor.authorShaibah, Mohammed A. E.
dc.contributor.authorSagar, Belakavadi K.
dc.contributor.authorYathirajan, Hemmige S.
dc.contributor.authorKumar, S. Madan
dc.contributor.authorGlidewell, Christopher
dc.identifier.citationShaibah , M A E , Sagar , B K , Yathirajan , H S , Kumar , S M & Glidewell , C 2017 , ' Crystal structure of ebastinium 3,5-dinitrobenzoate ' , Acta Crystallographica Section E , vol. 73 , no. 10 , pp. 1513-1516 .
dc.identifier.otherPURE: 251291591
dc.identifier.otherPURE UUID: 92765172-e516-4cec-b631-565eff327438
dc.identifier.otherBibtex: urn:c44df5fc2a9437fd272bb5316f7ed948
dc.identifier.otherScopus: 85044719074
dc.identifier.otherWOS: 000412026700025
dc.descriptionBKS thanks the UGC for the award of a Rajiv Gandhi National Fellowship.en
dc.description.abstractEbastine, 4-(benzhydryloxy)-1-[4-(4-tert-butylphenyl)-4-oxobutyl]piperidine, reacts with 3,5-dinitrobenzoic acid in methanol solution to give the title 1:1 salt, ebastinium 3,5-dinitrobenzoate, C32H40NO2+·C7H3N2O6-. In the cation, the disubstituted aryl ring exhibits orientational disorder over two sets of atomic sites having occupancies 0.706(4) and 0.294(6), with a dihedral angle of 41.2(5)° between the two orientations: the bulky Ph2CH—O– substituent occupies an axial site on the piperidine ring. The two ions in the selected asymmetric unit are linked by a nearly linear N—H···O hydrogen bond and this, in combination with two C—H···O hydrogen bonds, links the ions into complex sheets.
dc.relation.ispartofActa Crystallographica Section Een
dc.rights© 2017 The Authors. This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.en
dc.subjectMolecular structureen
dc.subjectHydrogen bondingen
dc.subjectSupramolecular assemblyen
dc.subjectQD Chemistryen
dc.titleCrystal structure of ebastinium 3,5-dinitrobenzoateen
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.description.statusPeer revieweden

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