Synthesis and Crystal Structural Characterization of a Thiosemicarbazone Derived from 4-Acylpyrazolone |
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| Authors: | LIU Guang-Fei LIU Lang HU Xin JIA Dian-Zeng YU Kai-Bei |
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| Affiliation: | 1. Institute of Applied Chemistry, Xinjiang University, Urumqi 830046, China
2. Chengdu Institute of Organic Chemistry, The Chinese Academy of Sciences, Chengdu, Sichuan 610041, China |
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| Abstract: | The reaction of 4-(p-fluobenzoyl)-2,5-dihydro-3-methyl-1-phenyl pyrazol-5-one with thiosemicarbazide in MeOH followed by recrystallization in EtOH gave rise to yellowish lamellar crystals of 4(p-fluo-α-aminothiocarbonyl hydrazonobenzal)-2,5-dihydro-3-methyl- 1 -phenyl pyrazol-5-one 1. It crystallizes in orthorhombic, space group Pbca with a = 18.445(4), b = 11.987(2),c = 19.249(4) (A), V= 4256.1(18) (A)3, Z = 8, Mr = 415.49, Dc= 1.297 g/cm3, T= 296(2) K, F(000) =1744, μ(MoKα) = 0.186 cm-1, R = 0.0521 and wR = 0.1211 for 1661 observed reflections with I ＞2σ(I). The compound was structurally characterized by elemental analyses, IR and 1H NMR. The intermolecular hydrogen bonds are present and a two-dimensional framework is formed by two intermolecular hydrogen bonds in the (001) plane. |
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| Keywords: | pyrazol-5-one thiosemicarbazije crystal structure synthesis |
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