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Chinese Journal of Structural Chemistry 2008年第3期27卷 311-315页

作者：柏 潘晓静党东宾金亚南王敬平 Institute of Molecular and Crystal Engineering School of Chemistry and Chemical EngineeringUniversity of Henan

A new Ni（II） complex, [Ni（ftsc）2NO3]NO3 （Hftsc = furan-2-carbaldehyde thiosemicarbazone）, has been synthesized and characterized by IR, UV spectra and single-crystal X-ray diffraction analysis. It crystalfizes in a monoclinic system, space group P2 1/n, with a = 10.5203（13）, b = 9.2094（11）, c = 20.829（3）A,β = 91.518（2）°, V= 2 017.3（5）A^3, Z = 4, F（000） = 1064, Dc = 1.716 g/cm^3, and wR = 0.0800. The complex contains a six-coordinated nickel（II） center which is bound to two imine nitrogen atoms and two thiolato sulfur atoms of two ligands as well as two oxygen atoms from a nitrate anion to assume a distorted octahedral coordination geometry. In addition, intermolecular N-H…O and C-H…O hydrogen bonds between adjacent molecules link the molecules together to form a three-dimensional structure.

关键词： Ni（II） complex thiosemicarbazone hydrogen bond crystal structure

Antitumor Metallothiosemicarbazonate:Synthesis,Crystal Structure,Spectra and Antitumor Studies of Co(Ⅲ) Complex with thiosemicarbazone Derivative of 2-Benzoylpyridine

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Chinese Journal of Structural Chemistry 2008年第3期27卷 281-286页

作者：李明雪周静王子梁王敬平 Institute of Molecular and Crystal Engineering College of Chemistry and Chemical EngineeringHenan University

The title complex [Co（L）2]Cl·4H2O I has been achieved via self-assembly by incorporating cobalt into 2-benzoylpyridine thiosemicarbazonate ligand, and characterized by elemental analysis, infrared spectra, mass spectra and single-crystal X-ray diffraction study. The crystal crystallizes in monoclinic, space group P2 1/n, with a = 10.227（3）, b = 17.363（4）, c = 17.459（4） A, β= 100.408（4）°, V= 3049.2（13） A^3, Z = 4, Mr = 677.08, Dc = 1.475 g/cm^3, μ（MoKα） = 0.834 mm^-1, F（000） = 1400, the final R = 0.0747 and wR = 0.0896 for 1663 observed reflections with I 〉 2σ（I）. The complex contains one six-coordinated cobalt ion connected by two thiosemicarbazone ligands which act as a tridentate ligand to coordinate with the center metal atoms via two pyridyl nitrogen atoms, two imine nitrogen atoms and two sulfur atoms giving rise to a mononuclear structure. Hydrogen bonds existing in the complex link the different components to stabilize the crystal structure. The antiturnor activity of the title complex was tested against A549 lung cancer cell line. Complex ! exhibits antitumor activity.

关键词： crystal structure thiosemicarbazone cobalt cytotoxic activity

Synthesis, Crystal Structure and Non-covalent Interactions Analysis of Novel N-Substituted thiosemicarbazone

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Chemical Research in Chinese Universities 2019年第3期35卷 471-477页

作者： ZHANG Xing HUANG Jie ZHANG Yu QI Fan WANG Sifan SONG Jirong Shaanxi Key Laboratory of Physico-inorganic Chemistry School of Chemical Engineering Northwest UniversityXi'an 710069P.R.China Ministry of Science and Technology the Palace MuseumBeijing 100009P.R.China

()*￡-1 -(4-Fluorobenzylidene)^l-(4-ethylphenyl)thiosemicarbazone was synthesized via the reaction of 4-(4-ethylphenyl)thiosemicarbazide and 4-fluorobenzaldehyde. The title compound was characterized by FTIR, and 13C NMR, mass spectrometry and elemental analysis techniques. Structural property of the title compound was displayed by the X-ray single crystal diffraction. The title compound crystallized in triclinic space group Pl witli a=0.6494(4) nm,a=0.7971(5) nm, c=1.5492( 10) nm,a=83.690( 11)°,β=84.185(10)。γ=84.348(11)。molecular formula Ci6H16FN3S,Mr=301.39,V=0.7868(9) nm^3, Z=2, Dc=1.272 g/cm……3,^000)=316,“=0.213 mm-1, 5=1.02, 7?=O.O513, and cw7[Z>2o(Z)]=0.1662. The intennolecular interactions in the crystal structure were explained using the Hirshfeld surface and their associated two-dimensional fingerprint plots. The title compound showed C-H-S(l-x,-y,-z) and NH(1-y,-z) intermolecular interactions, and formed the supramolecular self-assemblies through R2^2(12) and R2^2(8) ring motifs. Shape index and curvediiess were performed to further understand some unique weak interactions, for instance, the weakπ…π stacking contacts in molecular structure witli difierent characteristic regions. Besides, the reduced density gradient(RDG) function provided a real-space function for discussing non-covalent interactions within molecule, such as hydrogen bonds, weak van der Waals interactions and attractive or repulsive effects.

关键词： Novel N-substituted thiosemicarbazone Non-covalent interaction Reduced desity gradient(RDG) function Hirshfeld surface analysis

New Copper（Ⅱ） and Nickel（Ⅱ） Complexes of 4-Morpholinoacetophenone thiosemicarbazone： Structural, Electrochemical and Antimicrobial Studies

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Chinese Journal of Chemistry 2007年第3期25卷 307-311页

作者： BINGOL Haluk COSKUN Ahmet AKGEMCI Emine Guler KAYA Basturk ATALAY Tevfik Selcuk University Faculty of Education Chemistry Department Konya 42099 Turkey Selcuk University Faculty of Education Biology Department Konya 42099 Turkey

4-Morpholinoacetophenone thiosemicarbazone, MAPT, and its nickel（Ⅱ） and copper（Ⅱ） complexes have been prepared and characterized by elemental analysis, magnetic susceptibility, spectral methods （FT-IR, ^1H NMR） and cyclic voltammetry. Electrochemical behaviors of the complexes have been studied by cyclic voltammetry in DMF media showing metal centered reduction processes for both of them. The redox properties, nature of the electrode processes and the stability of the complexes were discussed. [Cu（MAPT）2]Cl2 complex shows Cu（Ⅱ）/Cu（Ⅰ） couple and quasi-reversible wave associated with the Cu（Ⅲ）/Cu（Ⅱ） process. The reduction/oxidation potential values depend on the structures of complexes. Also, the antimicrobial activities of these complexes were determined against S. aureus, E. coli and B. subtilis.

关键词： thiosemicarbazone metal complexes spectra cyclic voltammetry antimicrobial activity

Antitumor Comparison of Three α-N-Heterocyclic thiosemicarbazone Derivatives' Crystal Structures of Bis(2-acetylpyridine)thiocarbonohydrazone and Bis(imidazole-2-carboxaldehyde)thiocarbonohydrazone

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Chinese Journal of Structural Chemistry 2010年第9期29卷 1380-1386页

作者：陈春玲陈丹云李明雪牛景杨 Institute of Molecular and Crystal Engineering College of Chemistry and Chemical EngineeringHenan University

A series of ligands,HL1（2-acetylpyridine thiosemicarbazone）,H2L2（bis（2-acetyl-pyridine） thiocarbonohydrazone） and H2L3（bis（imidazole-2-carboxaldehyde） thiocarbonohydrazone） was synthesized.H2L2 and H2L3 were characterized by elemental analysis,IR spectra and single-crystal X-ray diffraction studies.Hydrogen bonds link different components to stabilize the crystal structure in the two ligands.To comprehend the structure-activity relationship well,the three ligands are all tested against human K562 leucocythemia cell line with IC50 analysis.Different substituent groups on the ligands show different levels of antitumor activity.By comparison with the other species studied,H2L2 with thiocarbonohydrazone along with 2-acetylpyridine is the most active compound with IC50 = 2.48 μM.

关键词： thiosemicarbazone thiocarbonohydrazone crystal structure cytotoxic activity

1-Pyrenecarboxaldehyde thiosemicarbazone:A novel fluorescent molecular sensor towards mercury(Ⅱ) ion

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Chinese Chemical Letters 2010年第9期21卷 1124-1128页

作者： Xue Mei Wang Hua Yan Xin Lu Feng Yong Chen Department of Chemistry and Material Engineering Logistic Engineering University Chongqing 401311 China Department of Applied Oil Engineering Logistic Engineering University Chongqing 401311 China Department of Barracks Management & Environmental Engineering Logistic Engineering University Chongqing 401311 China

A novel and simple fluorescent molecular sensor,1-pyrenecarboxaldehyde thiosemicarbazone（Hpytsc）,was synthesized.Its higher sensitivity and selectivity to mercury（Ⅱ） ion were studied through absorption and emission channels.The UV-vis spectra show that the increasing mercury（Ⅱ） ion concentrations result in the decreasing absorption intensity.The fluorescence monomer emission of Hpytsc is enhanced upon binding mercury（Ⅱ） ion,which should be due to the 1：1 complex formation between Hpytsc and metal ion.

关键词： Fluorescence sensor Mercury（Ⅱ） ion Pyrene derivatives thiosemicarbazone

Synthesis and Structure of 4-Nitrobenzaldehyde thiosemicarbazone

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Chinese Journal of Structural Chemistry 1996年第4期15卷 307-310页

作者： Tian Yu-Peng Duan Chun-Ying Lu Zhong-Lin You Xiao-Zeng(Coordination Chemistry Institute, State Key Laboratory of Coordinatton Chemistry,Nanjing Univuersity, Centre for Advanced Studies in Science and Technology of Microstructure, Hanjing, 210093) Luo B 南京大学配位化学所配位化学国家重点实验室江苏南京武汉大学分析测试中心湖北武汉

Nitrobenzaldehyde thiosemicarbazone (C_8H_8N_4O_2S) has been prepared by the condensation of 4-nitrobenzaldehyde with thiosemicarbazide. This compound crystallized in monoclinic space group P2_1/c with the unit cell parameters : a =4. 560(2), b=24. 900(4), c=8. 950(2) A, β=98. 37(2)°, V=1005. 2 A￣3, Z=4,D_c = 1. 482 g/cm￣3, λ= 0. 71073 A, μ(MoKα)=0. 293 mm￣(-1) , final R= 0.044 for 1568 observed reflections. Analvsis of molecular structure reveals that the molecule is in trans-configuration. The molecular packing is governed by N-H...S and O... H-N hydrogen bonding interactions.

关键词： molecular structure thiosemicarbazone 4-nitrobenzaldehyde thiosemicarhazone

Synthesis and Structure of 2-Acetylthiophene thiosemicarbazone

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Chinese Journal of Structural Chemistry 1995年第2期14卷 113-116页

作者：黄泰山姚志杨等 DepartmentofChemistry XiamenUniversityXiamen3610 DepartmentofChemistry XiamenU

Acetylthiophene thiosemicarbazone(C4H4S) C (CH3)=NNHC-SNH2-·1/2H2O has been prepared by the condensation of 2-acetylthiophene with thiosemicarbazide. This compound crystallized in monoclinic space group P21/c with unit cell parameters: a = 15. 909 (2) , b = 5 .424 (3)A,β=108. 59 (1)°,V=1989 (1)A 3, Z=8, Dc= 1.391g/cm3, F(000)= 872, λ=0.71073 A,μ(MoKα) = 4. 7 cm-1, final RO= 0.36 for 2852 observed reflections. Analysis of molecular structure reveals that this Schiff base possesses the E-form configuration. Each asymmetric unit contains two thiosemicarbazones and one water molecule which form hydrogen bonds statistically.

关键词： molecular structure thiosemicarbazone 2-acetylthiophene thiosemicarbazone

Synthesis and Antioxidant Activity of(E)ω-Formylcamphene-Based Thiazole Hydrazone Derivatives

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Journal of Renewable Materials 2023年第1期11卷 379-391页

作者： Jiayu Chang Qingying Ding Chong Zhong Yao Long Zhuanquan Xiao Hai Luo Yuling Yang Zongde Wang Shengliang Liao Jinzhu Chen Shangxing Chen Ji Zhang College of Forestry Jiangxi Agricultural UniversityEast China Woody Fragrance and Flavor Engineering Research Center of National Forestry and Grassland AdministrationCamphor Engineering Research Center of NFGANanchang330045China College of Science Jiangxi Agricultural UniversityNanchang330045China College of Chemistry and Chemical Engineering Jiangxi Normal UniversityNanchang330027China

(E)ω-formylcamphene was synthesized fromα-pinene,the main component of turpentine,and then reacted with thiosemicarbazide to obtain(E)ω-formylcamphene thiosemicarbazide 3,which was reacted with 14α-bromoace-tophenone compounds to obtain 14(E)ω-formylcamphene thiazole hydrazone compounds 5a–5n;the yields were all above 80%.The structures of the target compounds were characterized by IR,^(1)H-NMR,^(13)C-NMR,and HR-MS analyses.Then,500,250,125,62.5,and 31.25 mg/L drug solutions were prepared.Free radical scavenging experi-ments of 1,1-diphenyl-2-picrylhydrazyl(DPPH)and 2,2-bis(3-ethyl-benzothiazole-6-sulfonic acid)diammonium salt(ABTS)were carried out with Trolox and L-ascorbic acid as the control samples.The scavenging rates of 14 compounds for DPPH and ABTS free radicals were obtained;the IC_(50) values of scavenging free radicals were fitted using SPSS software.The results show that 14(E)ω-formylcamphene-based thiazole hydrazone compounds exhibited good scavenging effects on the two free radicals,especially when the concentration of the drug solution was 125 and 62.5 mg/L;most compounds exceeded the scavenging efficiency of Trolox and L-ascorbic acid.

关键词： (E)ω-formylcamphene thiosemicarbazone thiazohydrazone structural analysis antioxidant activity

A Lindqvist-type [W_(6)O_(19)]^(2-) organic–inorganic compound: synthesis, characterization, antibacterial activity and preliminary studies on the mechanism of action

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Tungsten 2022年第2期4卷 121-129页

作者： Meng Zhao Xi-Yu Zhu Yan-Zhen Li Jiang-Nan Chang Ming-Xue Li Li-Hua Ma Xiao-Yuan Guo Henan Key Laboratory of Polyoxometalate Chemistry Institute of Molecular and Crystal EngineeringSchool of Chemistry and Chemical EngineeringHenan UniversityKaifeng475004China Agricultural Products’Quality and Safety Testing Center of Kaifeng Kaifeng Agriculture and Rural BureauHenan475004China

In this paper,a new organic–inorganic hybrid compound[Co(L)_(2)]2[W_(6)O_(19)](1)(HL=2-acetylpyridine thiosemicarbazone)was prepared and characterized.The compound 1 exhibits remarkable antibacterial activity by determination of minimum inhibitory concentration(MIC)against Staphylococcus aureus(S.aureus,0.06μg·mL^(−1))and Escherichia coli(E.coli,0.24μg·mL^(−1)),respectively.Furthermore,the potential mechanism of compound 1 was studied in detail.The potential causes of bacteria death were cell wall/membrane disruption,inhibition of intracellular respiratory chain dehydrogenases(RCD)activity,destruction of reactive oxygen species(ROS)and depletion of glutathione(GSH).

关键词： Isopolytungstate thiosemicarbazone Bioactivity Mechanism of action