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Synthesis And Single Crystal X-Ray Diffraction Study Of a Schiff Base Derived From 4-Acylpyrazolone And 2-Aminophenol

机译:4-酰吡唑酮和2-氨基酚衍生的Schiff碱的合成与单晶X射线衍射研究

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The title compound, (Z)-1-(3-chlorophenyl)-4[1{(2hydroxyphenyl)amino}propylidene]-3-methyl-1H-pyrazol-5(4H)-one was synthesized by refluxing compound 1-(m-chlorophenyl)-3-methyl-4-propionyl-5-pyrazolone, with 2-aminophenol in ethanol. The compound crystallizes in the orthorhombic crystal system with space group Pca2_1 having unit cell parameters: a = 26.2993(8), b = 7.0724(2) and c = 18.7170(5)? .The structure contains two crystallographically independent molecules, A, and, B, in the asymmetric unit cell. The crystal structure was solved by direct method using single crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R- value of 0.049 for 5207 observed reflections.
机译:通过回流化合物1-合成标题化合物,(Z)-1-(3-氯苯基)-4 [1(2羟基苯基)丙基] -3-甲基-1H-吡唑-5(4H)-One( M-氯苯基)-3-甲基-4-丙酰基-5-吡唑酮,用2-氨基苯酚乙醇。该化合物在具有单元电池参数的空间组PCA2_1中结晶,具有单元电池参数:A = 26.2993(8),B = 7.0724(2)和C = 18.7170(5)? 。结构含有两个在不对称单元细胞中的两个晶形上独立的分子,A和B,。通过在室温下收集的单晶X射线衍射数据并通过全基质最小二乘法改进的直接方法来解决晶体结构,以对5207观察到的反射的最终R值为0.049。

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