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2种异烟肼共晶的结构分析及Hirshfeld表面分析 被引量:8
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作者 张宝喜 张丽 +2 位作者 龚宁波 吕扬 杜冠华 《医药导报》 CAS 北大核心 2018年第1期12-15,共4页
目的制备异烟肼-丙二酸和异烟肼-戊二酸2种共晶化合物,并分析其共晶形成机制及分子间作用力。方法采用单晶X射线衍射法获得2种共晶三维立体结构,采用Hirshfeld表面分析法对其各自分子间氢键作用力进行分析。结果异烟肼-丙二酸以1∶0.5... 目的制备异烟肼-丙二酸和异烟肼-戊二酸2种共晶化合物,并分析其共晶形成机制及分子间作用力。方法采用单晶X射线衍射法获得2种共晶三维立体结构,采用Hirshfeld表面分析法对其各自分子间氢键作用力进行分析。结果异烟肼-丙二酸以1∶0.5的化学计量比形成共晶,异烟肼-戊二酸以1∶1的化学计量比形成共晶,2种共晶通过氢键及范德华力维持其在空间的稳定排列。结论异烟肼分子中存在吡啶环、酰肼基团,易与含羧基化合物形成氢键,采用Hirshfeld表面分析法能够更加直观、清晰地揭示晶体结构中分子间相互作用。 展开更多
关键词 异烟肼 共晶 分子间作用力 Hirshfeld表面分析
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4-吡啶甲酰肼与十二烷基苯磺酸钠对盐水中黄铜的协同缓蚀效应研究 被引量:4
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作者 黄小红 张胜涛 胡莲跃 《全面腐蚀控制》 2011年第3期28-35,共8页
本文采用失重法、极化曲线法、交流阻抗法研究环境友好型缓蚀剂4-吡啶甲酰肼与十二烷基苯磺酸钠(SDBS)对黄铜在3.0%NaCl介质中的缓蚀作用。结果表明:当4-吡啶甲酰肼浓度为0.50g/L,十二烷基苯磺酸钠浓度为0.35g/L时,其复配缓蚀效率达到99... 本文采用失重法、极化曲线法、交流阻抗法研究环境友好型缓蚀剂4-吡啶甲酰肼与十二烷基苯磺酸钠(SDBS)对黄铜在3.0%NaCl介质中的缓蚀作用。结果表明:当4-吡啶甲酰肼浓度为0.50g/L,十二烷基苯磺酸钠浓度为0.35g/L时,其复配缓蚀效率达到99.65%。本文还对4-吡啶甲酰肼和十二烷基苯磺酸钠对黄铜的缓蚀机理进行了分析,表明4-吡啶甲酰肼在铜合金表面通过化学吸附形成保护膜,SDBS可在保护膜外形成疏水层,阻碍Cl-对铜的侵蚀,两者通过协同缓蚀作用达到对铜的高效保护。 展开更多
关键词 4-吡啶甲酰肼 十二烷基苯磺酸钠 复配 协同缓蚀作用
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Design, Synthesis, Crystal Structure and Photophysical Properties of New Oxadiazole Extended Viologen Fluorophore 被引量:1
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作者 Tetsuji Moriguchi Masataka Okuyama Venkataprasad Jalli 《Crystal Structure Theory and Applications》 2021年第2期27-37,共11页
Viologens (<i>N,N'</i>-dimethyl-4,4-bipyridinium) are advanced functional materials, found important applications in electrochromic devices, molecular machines, organic batteries, and carbohydrate oxid... Viologens (<i>N,N'</i>-dimethyl-4,4-bipyridinium) are advanced functional materials, found important applications in electrochromic devices, molecular machines, organic batteries, and carbohydrate oxidation catalysts in alkaline fuel. In this article, we investigated the design, synthesis and photophysical properties of <i>N,N'</i>-dimethyl-2,5-Bis(pyridinium)oxadiazole <b>4</b> and its precursor 2,5- Bis(pyridine)oxadiazole<b> 2</b>. The crystal structure and photophysical properties of viologen <b>4</b> and precursor <b>2</b> have been determined. The viologen molecule <b>4</b> crystallized in monoclinic form, space group <i>P</i>2<sub>1</sub>/<i>n</i> with four molecules in unit cell. Precursor molecule <b>2</b> also crystalized in monoclinic form, space group <i>C</i>2/<i>c</i> with four molecules in unit cell. From X-rd data, we found three cations in the molecular structure of viologen molecule <b>4</b>, which is unusual in viologens. In the three-dimensional molecular packing diagram of molecule <b>4</b>, the three cations and iodate anions are stabilized by C···C, C···I, N···I, N···H, H···I, N—H···I and C—H···I. The dihedral angle between planes having oxadiazole and two benzene rings are 5&#176;and 8&#176;, suggesting the molecule <b>4</b> is a slightly strained one. The molecular structure of precursor molecule <b>2</b> stabilized by C···C and N···H short contacts between the molecules. The molecule <b>4</b> displayed strong absorbance at 315 nm and emissions between 390 - 410 nm. 展开更多
关键词 Oxadiazole Extended Methyl Viologen Bipyridine Oxadiazole Crystal Struc-ture Pyridine-4-Carboxy Aldehyde isonicotinic acid hydrazide Fluorescence
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Synthesis and Crystal Structure of Bis(N’-(Pyridine-3-Carboxaldehyde) Isonicotinoylhydrazone) Zinc(II)
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作者 Sally-Judith E. Ntum Conde Asseng Mariam +1 位作者 Evans N. Mainsah Peter T. Ndifon 《Open Journal of Inorganic Chemistry》 2020年第3期25-38,共14页
Zinc complexes of Schiff base ligands exhibit interesting properties which could be exploited for potential applications as catalysts and models for biochemical syste<span style="font-family:Verdana;">... Zinc complexes of Schiff base ligands exhibit interesting properties which could be exploited for potential applications as catalysts and models for biochemical syste<span style="font-family:Verdana;">ms. In this study, we report of the synthesis of a new zinc Schiff base complex, bis</span><span style="font-family:Verdana;"><span style="font-family:Verdana;"><span style="font-family:Verdana;">(N’-(pyridine-3-carboxaldehyde) isonicotinoylhydrazone) zinc(II), which </span></span></span><span style="font-family:Verdana;"><span style="font-family:Verdana;"><span style="font-family:Verdana;">has been characterized by physico-chemical methods. The X-ray single crystal structure of the complex has also been determined. The Schiff base ligand is bonded</span></span></span><span style="font-family:Verdana;"><span style="font-family:Verdana;"><span style="font-family:Verdana;"> to the metal in a monodentate manner, coordinating through the pyridine N-atom, as shown from spectral studies. The crystal structure shows the zinc atom bonded to two Schiff base</span></span></span><span style="font-family:Verdana;"><span style="font-family:Verdana;"><span style="font-family:Verdana;">s</span></span></span><span><span><span style="font-family:;" "=""><span style="font-family:Verdana;"> and four aqua ligands, with each Schiff base ligand coordinating through its pyridine N-atom forming a distorted octahedral ZnN</span><sub><span style="font-family:Verdana;">2</span></sub><span style="font-family:Verdana;">O</span><sub><span style="font-family:Verdana;">4</span></sub><span style="font-family:Verdana;"> complex. Two water molecules and two nitrate ions found in the crystal structure link the different monomers through hydrogen bonding to form a layered supramolecular structure.</span></span></span></span> 展开更多
关键词 Zinc Complex Heterocyclic Schiff Base isonicotinic acid hydrazide (Isonia-zid) Hydrazone X-Ray Structure Spectroscopy
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