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¯Ï interactions and aromatic Ï-Ï stacking [shortest centroid-centroid separation = 3.707â (2)â à ] generate a three-dimensional network.
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.
(4Z)-1-(3,4-二氯苯基)-4-[羟基(4-甲基苯基)亚甲基]-3-甲基-4,5-二氢-1H-吡唑-5-酮的晶体结构
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作者:Sharma Naresh, Parihar Sanjay, Jadeja R N, Kant Rajni, Gupta Vivek K
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2014 | 起止号: | 2014 Sep 30; 70(Pt 10):o1136-7 |
| doi: | 10.1107/S160053681402114X | ||
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