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dc.contributor.authorShaibah, Mohammed A. E.
dc.contributor.authorYathirajan, Hemmige S.
dc.contributor.authorKumar, S. Madan
dc.contributor.authorByrappa, Kullaiah
dc.contributor.authorGlidewell, Christopher
dc.date.accessioned2017-10-06T12:30:13Z
dc.date.available2017-10-06T12:30:13Z
dc.date.issued2017-10
dc.identifier251301134
dc.identifier568706ca-0ddd-460e-a1db-3cc3375b69d6
dc.identifier85044752579
dc.identifier000412026700020
dc.identifier.citationShaibah , M A E , Yathirajan , H S , Kumar , S M , Byrappa , K & Glidewell , C 2017 , ' Crystal structures of N , N -dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylamine and N , N -dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylammonium 2,4,6-trinitrophenolate ' , Acta Crystallographica Section E , vol. 73 , no. 10 , pp. 1488-1492 . https://doi.org/10.1107/S2056989017012968en
dc.identifier.issn2056-9890
dc.identifier.otherBibtex: urn:206752de4586ebff700d324d0b392159
dc.identifier.urihttps://hdl.handle.net/10023/11813
dc.description.abstractThe N,N-dimethylethylamminium unit in N,N-dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylamine, C21H23NO3 (I), is disordered over two sets of atomic sites having occupancies of 0.880 (3) and 0. 120 (3), but there are no direction-specific interactions between the molecules of (I). The cation in N,N-dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylammonium 2,4,6-trinitrophenolate (picrate), C21H24NO3+·C6H2N3O7- (II), shows a similar type of disorder, with occupancies of 0.654 (11) and 0.346 (11), although the overall conformation of the cation in (II) is different from that in the neutral (I). The component ions are are linked by an almost planar three-centre N—H···(O)2 hydrogen bond, and the ion pairs are further linked by a combination of three C—H···O hydrogen bonds to form sheets. Comparisons are made with some related structures.
dc.format.extent5
dc.format.extent1125015
dc.language.isoeng
dc.relation.ispartofActa Crystallographica Section Een
dc.subjectCrystal structureen
dc.subjectDisorderen
dc.subjectMolecular conformationen
dc.subjectHydrogen bondingen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleCrystal structures of N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylamine and N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylammonium 2,4,6-trinitrophenolateen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.identifier.doihttps://doi.org/10.1107/S2056989017012968
dc.description.statusPeer revieweden


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