| Synthesis and Crystal Structure of 4-[（1E）-（4-Hydroxy-3,5-dimethoxybenzylidene）-amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one |
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| 作者姓名： | SUN Yi-Feng ZHANG Dong-Di SONG Hua-Can |
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| 作者单位： | [1]Department of Chemistry, Taishan University, Shandong 271021, China [2]College of Pharmacy, Henan University, Kaifeng, Henan 475002, China [3]School of Chemistry and Chemical Engineering, Zhongshan University, Guangzhou, Guangdong 510275, China |
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| 基金项目： | This work was supported by the Foundation of Science and Technology Department of Guangdong Province （2004B30101007）and Taishan University （No.Y04-2-02） |
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| 摘 要： | The title compound (C20H21N3O4, Mr = 367.40) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group P212121 with a = 7.5143(15), b = 13.901(3), c = 18.545(4) , V = 1937.1(7) 3, Z = 4, Dc = 1.260 g/cm3, μ = 0.089 mm-1, F(000) = 776, the final R = 0.0616 and wR = 0.0912. X-ray diffraction reveals that the molecule adopts an E configuration about the central C=N double bond. The intermolecular O–H…O hydrogen bond stabilizes the crystal structure by causing the formation of a supramolecular architecture.
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| 关 键 词： | 安替比林衍生物 Schiff碱 合成 晶体结构 4-[（1E）-（4-羟基-3 5-二甲氧基苯亚甲基）-氨基]-1 5-二甲基-2-苯基-2 3-二氢-1H-吡唑-3-酮 |
| 收稿时间： | 2006-08-11 |
| 修稿时间： | 2006-08-112006-10-18 |
Synthesis and Crystal Structure of 4-[(1E)- (4-Hydroxy-3,5-dimethoxybenzylidene)-amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one |
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| SUN Yi-Feng ZHANG Dong-Di SONG Hua-Can.Synthesis and Crystal Structure of 4-[(1E)- (4-Hydroxy-3,5-dimethoxybenzylidene)-amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one[J].Chinese Journal of Structural Chemistry,2007,26(5):511-514. |
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| Authors: | SUN Yi-Feng ZHANG Dong-Di SONG Hua-Can |
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| Abstract: | The title compound (C20H21N3O4, Mr = 367.40) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group P212121 with a = 7.5143(15), b = 13.901(3), c = 18.545(4) (A), V = 1937.1(7) (A)3, Z = 4, Dc = 1.260 g/cm3, μ = 0.089 mm-1, F(000) = 776, the final R = 0.0616 and wR = 0.0912. X-ray diffraction reveals that the molecule adopts an E configuration about the central C=N double bond. The intermolecular O-H…O hydrogen bond stabilizes the crystal structure by causing the formation of a supramolecular architecture. |
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| Keywords: | antipyrine derivative Schiff bases synthesis crystal structure Crystal Structure Synthesis hydrogen bond formation supramolecular architecture double bond molecule configuration central final space group crystal structure synthesized diffraction compound |
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