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X-ray Structure and Molecular-Packing Analysis of a Glucofuranosoimidazolidine- 2-thione

 

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dc.creator Estrada de Oya, María Dolores es
dc.creator Conde Amiano, Alejandro es
dc.creator Márquez Delgado, Rafael es
dc.date.accessioned 2017-12-12T17:25:08Z
dc.date.available 2017-12-12T17:25:08Z
dc.date.issued 1986
dc.identifier.citation Estrada de Oya, M.D., Conde Amiano, A. y Márquez, R. (1986). X-ray Structure and Molecular-Packing Analysis of a Glucofuranosoimidazolidine- 2-thione. Acta crystallographica. Section C, Crystal structure communications, 42 (4), 454-457.
dc.identifier.issn 0108-2701 es
dc.identifier.uri http://hdl.handle.net/11441/67535
dc.description.abstract 1-(4-Bromophenyl)-3-ethyl-(3,5,6-tri-Oacetyl- 1,2-dideoxy-~t-L-glucofuranoso)[2,1-d]imidazolidine- 2-thione,* C21H25BrN2OTS, M,= 529.40, orthorhombic, P2~2121, a= 12.056 (7), b= 22.420 (9), c =8.841 (2)A, V=2390(2) A3, z=4, Dm= 1.47 (2), D x = 1.47 Mg m -3, 2(Mo Ktx) = 0.7107 A, # = 1.82mm -1, F(000)= 1088, room temperature, final R = 0.070 for 1668 observed reflexions. The sugar ring adopts the 4E conformation and the imidazolidine ring is almost planar. The dihedral angle in the bicyclic system is 71.1 (4) °. The crystal cohesion is mainly due to van der Waals interactions. The lattice energy was computed in the atom:--atom approach using van der Waals potential functions and the calculations account satisfactorily for the features of the crystal packing. es
dc.format application/pdf es
dc.language.iso eng es
dc.publisher International Union of Crystallography es
dc.relation.ispartof Acta crystallographica. Section C, Crystal structure communications, 42 (4), 454-457.
dc.rights Attribution-NonCommercial-NoDerivatives 4.0 Internacional *
dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/4.0/ *
dc.title X-ray Structure and Molecular-Packing Analysis of a Glucofuranosoimidazolidine- 2-thione es
dc.type info:eu-repo/semantics/article es
dc.type.version info:eu-repo/semantics/publishedVersion es
dc.rights.accessrights info:eu-repo/semantics/openAccess es
dc.contributor.affiliation Universidad de Sevilla. Departamento de Física de la Materia Condensada es
dc.relation.publisherversion http://dx.doi.org/10.1107/S0108270186095811 es
dc.identifier.doi 10.1107/S0108270186095811 es
idus.format.extent 4 p. es
dc.journaltitle Acta crystallographica. Section C, Crystal structure communications es
dc.publication.volumen 42 es
dc.publication.issue 4 es
dc.publication.initialPage 454 es
dc.publication.endPage 457 es
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