dc.creator | Conde Amiano, Clara Francisca | es |
dc.creator | Millán, M. | es |
dc.creator | Conde Amiano, Alejandro | es |
dc.creator | Márquez Delgado, Rafael | es |
dc.date.accessioned | 2017-12-14T15:04:40Z | |
dc.date.available | 2017-12-14T15:04:40Z | |
dc.date.issued | 1985 | |
dc.identifier.citation | Conde Amiano, C.F., Millán, M., Conde Amiano, A. y Márquez, R. (1985). X-ray Structure and Molecular-Packing Analysis of l'-(p-Bromophenyl)-3'-ethyl- 1 ',3 ',4',5 '-tetrahy dro- 1,2-dideo xy-D-glycero-ot-D-galacto-heptofuranoso[ 2, l-d]imidazole- 2'-thione Monohydrate. Acta crystallographica. Section C, Crystal structure communications, 41 (NOV), 1658-1662. | |
dc.identifier.issn | 0108-2701 | es |
dc.identifier.uri | http://hdl.handle.net/11441/67628 | |
dc.description.abstract | 6- (p-Bromophenyl)-4-ethyl-3-hydroxy-2-
(1,2,3-trihydroxypropyl)-2,3,3 a,5,6,6 a-hexahydrofuro-
[2,3-d]imidazole-5(4H)-thione monohydrate, C16H21-
BrN2OsS.H20, Mr----451.3, orthorhombic, P21212 l,
a = 6.073 (3), b = 15.977 (8), c = 19.213 (9) A, V=
1864 (2) A 3, Z = 4, D m = 1.62 (1), D x-- 1.61 Mg m -a,
2(Mo Ka) = 0.7107 A, g= 2.32 mm -1, F(000) = 928,
room temperature, final R = 0.080 for 2147 observed
reflexions. The sugar ring adopts the 4E conformation
and the dihedral angle in the bicyclic system is
115.0 (3) °. A three-dimensional network of hydrogen
bonds links the molecules to stabilize the crystal
structure. The lattice energy was computed in the
atom-atom approach using van der Waals potential
functions. These calculations account satisfactorily for all the features of the crystal packing, including rotation
about selected bonds in the molecule | 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, 41 (NOV), 1658-1662. | |
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 l'-(p-Bromophenyl)-3'-ethyl- 1 ',3 ',4',5 '-tetrahy dro- 1,2-dideo xy-D-glycero-ot-D-galacto-heptofuranoso[ 2, l-d]imidazole- 2'-thione Monohydrate | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
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/S0108270185008939 | es |
dc.identifier.doi | 10.1107/S0108270185008939 | es |
idus.format.extent | 5 p. | es |
dc.journaltitle | Acta crystallographica. Section C, Crystal structure communications | es |
dc.publication.volumen | 41 | es |
dc.publication.issue | NOV | es |
dc.publication.initialPage | 1658 | es |
dc.publication.endPage | 1662 | es |