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Structural study of diarylazoles related to Rimonabant

Author:
Alkorta Osoro, Ibón; Alvarado Narváez, Mario; Elguero Bertolini, José; García-Granda, SantiagoUniovi authority; Goya Laza, Pilar; Torre Fernández, LauraUniovi authority; Menéndez Taboada, LauraUniovi authority
Subject:

Rimonabant; Crystallography; Giao; Pyrazoles; Triazoles

Publication date:
2009
Publisher version:
http://dx.doi.org/10.1016/j.molstruc.2008.10.020
Citación:
Journal of Molecular Structure, 920(1-3), P. 82-89 (2009); doi:10.1016/j.molstruc.2008.10.020
Descripción física:
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.

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
Identificador local:

20090774

DOI:
10.1016/j.molstruc.2008.10.020
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