1.
Acta Crystallogr Sect E Struct Rep Online
; 68(Pt 8): o2351-2, 2012 Aug 01.
Artículo
en Inglés
| MEDLINE
| ID: mdl-22904819
RESUMEN
There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(16)H(12)ClN(5)O(3). The relative orientations of the chloro-phenyl ring with respect to the pyrazole ring in the two crystallographically independent mol-ecules are different, and their corresponding dihedral angles are -53.3â (2) and 114.09â (18)° in mol-ecules A and B, respectively. There are two strong intramolecular N-Hâ¯O hydrogen bonds, and two weak intramolecular C-Hâ¯O and C-Hâ¯Cl hydrogen bonds. The crystal packing is constructed by weak C-Hâ¯O and N-Hâ¯O inter-actions, and two π-π stacking inter-actions [centroid-centroid distances = 3.7894â (9) and 3.5719â (10)â Å], forming a mol-ecular ladder along the a axis.