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Please use this identifier to cite or link to this item: http://hdl.handle.net/10651/6420

Title: Structural study of diarylazoles related to Rimonabant
Author(s): Alkorta Osoro, Ibón
Alvarado Narváez, Mario
Elguero Bertolini, José
García-Granda, Santiago
Goya Laza, Pilar
Torre Fernández, Laura
Menéndez Taboada, Laura
Keywords: Rimonabant; Crystallography; Giao; Pyrazoles; Triazoles
Issue date: 2009
Publisher version: http://dx.doi.org/10.1016/j.molstruc.2008.10.020
Citation: Journal of Molecular Structure, 920(1-3), P. 82-89 (2009); doi:10.1016/j.molstruc.2008.10.020
Format extent: p. 82-89
Abstract: The structures of three diarylazoles (two pyrazoles and one 1,2,4-triazole) related to Rimonabant have been determined by X-ray crystallography. The conformation of both aryl groups in the new structures is discussed with regard to other related compounds reported in the Cambridge Structural Database. The secondary structure of the three compounds is very different. Compound 2 forms a helix, compound 3 forms a structure with the hydrocarbon layers parallel and compound 4 crystallizes forming a double chain. In the solid state, the conformation of both aryl groups, the N-aryl and the C-aryl, was compared with similar compounds reported in the literature. GIAO calculations afford absolute shieldings that were compared with experimental chemical shifts.
URI: http://hdl.handle.net/10651/6420
ISSN: 0022-2860
Local identifier: 20090774
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