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Three closely related dibenzazepine carboxylic acids : hydrogen-bonded aggregation in one, two and three dimensions

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dc.contributor.authorSanabria, Carlos M.
dc.contributor.authorPalma, Alirio
dc.contributor.authorCobo, Justo
dc.contributor.authorGlidewell, Christopher
dc.date.accessioned2014-08-27T09:31:01Z
dc.date.available2014-08-27T09:31:01Z
dc.date.issued2014-03
dc.identifier143702752
dc.identifierad5d69a7-3e54-4ac6-8e7d-ec87274d21d6
dc.identifier000332221900019
dc.identifier84904857757
dc.identifier000332221900019
dc.identifier.citationSanabria , C M , Palma , A , Cobo , J & Glidewell , C 2014 , ' Three closely related dibenzazepine carboxylic acids : hydrogen-bonded aggregation in one, two and three dimensions ' , Acta Crystallographica Section C: Crystal Structure Communications , vol. 70 , no. 3 , pp. 332-337 . https://doi.org/10.1107/S2053229614003568en
dc.identifier.issn0108-2701
dc.identifier.urihttps://hdl.handle.net/10023/5244
dc.descriptionThe authors thank the Centro de Instrumentacio´n Cientı´- fico-Te´ cnica of the Universidad de Jae´n and the staff for the data collection. AP and CMS thank Colciencias for financial support (grant No. 1102-521-28229). JC thanks the Consejerı´a de Innovacio´ n, Ciencia y Empresa (Junta de Andalucı´a, Spain) and the Universidad de Jae´n for financial support.en
dc.description.abstractIn the structure of (6R*,11R*)-5-acetyl-11-ethyl-6,11-dihydro-5H-dibenzo[b,e]azepine-6-carboxylic acid, C19H19NO3, (I), the molecules are linked into sheets by a combination of O-H...O and C-H...O hydrogen bonds; in the structure of the monomethyl analogue (6RS,11SR)-5-acetyl-11-ethyl-2-methyl-6,11-dihydro-5H-dibenzo[b,e]azepine-6-carboxylic acid, C20H21NO3, (II), the molecules are linked into simple C(7) chains by O-H...O hydrogen bonds; and in the structure of the dimethyl analogue (6RS,11SR)-5-acetyl-11-ethyl-1,3-dimethyl-6,11-dihydro-5H-dibenzo[b,e]azepine-6-carboxylic acid, C21H23NO3, (III), a combination of O-H...O, C-H...O and C-H...π(arene) hydrogen bonds links the molecules into a three-dimensional framework structure. None of these structures exhibits the R22(8) dimer motif characteristic of simple carboxylic acids.
dc.format.extent21
dc.format.extent881020
dc.language.isoeng
dc.relation.ispartofActa Crystallographica Section C: Crystal Structure Communicationsen
dc.subjectcrystal structure determinationen
dc.subjectDibenzo[b,e]azepine-6-carboxylic aciden
dc.subjectHydrogen bondingen
dc.subjectHydrogen-bonded supramolecular aggregationen
dc.subjectKeto aciden
dc.subjectPhenylphosphonic aciden
dc.subjectMianserinen
dc.subjectDerivativesen
dc.subject4,4'-sulfonyldiphenolen
dc.subject4,4'-thiodiphenolen
dc.subjectMirtazapineen
dc.subjectAntagonistsen
dc.subjectAdductsen
dc.subjectSeriesen
dc.subjectQD Chemistryen
dc.subject.lccQDen
dc.titleThree closely related dibenzazepine carboxylic acids : hydrogen-bonded aggregation in one, two and three dimensionsen
dc.typeJournal articleen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.identifier.doi10.1107/S2053229614003568
dc.description.statusPeer revieweden
dc.identifier.urlhttp://onlinelibrary.wiley.com/doi/10.1107/S2053229614003568/suppinfoen


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