Crystal structure of (4Z)-1-(3,4-di-chloro-phen-yl)-4-[hy-droxy(4-methyl-phen-yl)methyl-idene]-3-methyl-4,5-di-hydro-1H-pyrazol-5-one.
Acta Crystallogr Sect E Struct Rep Online
; 70(Pt 10): o1136-7, 2014 Oct 01.
Article
em En
| MEDLINE
| ID: mdl-25484715
ABSTRACT
The title compound, C18H14Cl2N2O2, crystallizes with two mol-ecules, A and B, in the asymmetric unit. In mol-ecule A, the dihedral angles between the central pyrazole ring and pendant di-chloro-benzene and p-tolyl rings are 2.18â
(16) and 46.78â
(16)°, respectively. In mol-ecule B, the equivalent angles are 27.45â
(16) and 40.45â
(18)°, respectively. Each mol-ecule features an intra-molecular O-Hâ¯O hydrogen bond, which closes an S(6) ring and mol-ecule A also features a C-Hâ¯O inter-action. In the crystal, weak C-Hâ¯π interactions and aromatic π-π stacking [shortest centroid-centroid separation = 3.707â
(2)â
Å] generate a three-dimensional network.
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01-internacional
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MEDLINE
Idioma:
En
Ano de publicação:
2014
Tipo de documento:
Article