Synthesis, Crystal Structure and Antitumor Study of an Iron(III) Complex of 2-Acetylpyrazine N(4)-Methylthiosemicarbazone

2008 ◽  
Vol 63 (11) ◽  
pp. 1257-1261 ◽  
Author(s):  
Lin Ping Zheng ◽  
Chun Ling Chen ◽  
Jing Zhou ◽  
Ming Xue Li ◽  
Yan Juan Wu
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Antitumor Activity ◽  
Free Ligand ◽  
Title Complex ◽  
Azomethine Nitrogen ◽  
Liver Cancer Cell ◽  
X Ray Diffraction ◽  
Tridentate Ligands ◽  
X Ray

Abstract The title complex [Fe(C8H10N5S)2] · Cl has been synthesized from 2-acetylpyrazine N(4)-methylthiosemicarbazone and FeCl3 · 6H2O and characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The complex consists of discrete monomeric molecules with octahedrally hexacoordinated iron(III) ions, in which two 2-acetylpyrazine 4-methylthiosemicarbazone units act as meridional NNS tridentate ligands coordinated to the central iron atom via the pyrazine nitrogen, azomethine nitrogen and sulfur atoms. Hydrogen bonds link the complex components to stabilize the crystal structure. The antitumor activity of the title complex was tested against K562 leucocythemia and BEL7402 liver cancer cell lines. The complex exhibits higher antitumor activity as compared to the free ligand.

Synthesis, Crystal Structure and Antitumor Study of a Cobalt(II) Complex of the 2-Acetylpyrazine Thiosemicarbazone

2008 ◽  
Vol 63 (1) ◽  
pp. 1-5 ◽  
Author(s):  
Ming Xue Li ◽  
Jing Zhou ◽  
Zi Liang Wang ◽  
Jing Ping Wang
Keyword(s):  
Crystal Structure ◽  
Antitumor Activity ◽  
Free Ligand ◽  
Cobalt Atom ◽  
Cancer Cell Line ◽  
Lung Cancer Cell Line ◽  
Title Complex ◽  
Azomethine Nitrogen ◽  
Spectral Studies ◽  
Tridentate Ligands

The title complex [Co(C7H8N5S)2]·2H2O has been synthesized and characterized by IR and UV spectral studies. The structure of the compound has been determined by single-crystal X-ray diffraction. The complex consists of discrete monomeric molecules with octahedrally hexacoordinate cobalt(II) ions, where two acetylpyrazine thiosemicarbazones act as NNS tridentate ligands coordinated to the central cobalt atom via the pyrazine nitrogen, azomethine nitrogen and sulfur atoms. Hydrogen bonds link the different components to stabilize the crystal structure. The antitumor activity of the title complex was tested against A549 lung cancer cell line. The complex exhibited lower antitumor activity, as compared to the free ligand.

scholarly journals Exploring the Structural Chemistry of Pyrophosphoramides: N,N′,N″,N‴-Tetraisopropylpyrophosphoramide

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 149-163
Author(s):  
Duncan Micallef ◽  
Liana Vella-Zarb ◽  
Ulrich Baisch
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Room Temperature ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, a property shared with the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, 1 is a solid at room temperature making it one of a few known pyrophosphoramide solids. The crystal structure of 1 was determined by single-crystal X-ray diffraction and compared with that of other previously described solid pyrophosphoramides. The pyrophosphoramide discussed in this study was synthesised by reacting iso-propyl amine with pyrophosphoryl tetrachloride under anhydrous conditions. A unique supramolecular motif was observed when compared with previously published pyrophosphoramide structures having two different intermolecular hydrogen bonding synthons. Furthermore, the potential of a wider variety of supramolecular structures in which similar pyrophosphoramides can crystallise was recognised. Proton (1H) and Phosphorus 31 (31P) Nuclear Magnetic Resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS) were carried out to complete the analysis of the compound.

scholarly journals CRYSTAL STRUCTURE OF BIS[1-(DIAMINOMETHYLENE)-THIOURON-1-IUM] SULFATE

2017 ◽  
Vol 60 (1) ◽  
pp. 45
Author(s):  
Yuliya V. Butina ◽  
Elena A. Danilova ◽  
Maxim V. Dmitriev ◽  
Aleksey V. Solomonov
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Diffraction Data ◽  
Crystalline State ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tautomeric Forms ◽  
Structural Database ◽  
Derivatives Of

For citation:Butina Yu.V., Danilova E.A., Dmitriev M.V., Solomonov А.V. Crystal structure of bis[1-(diaminomethylene)-thiouron-1-ium] sulfate. Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2017. V. 60. N 1. P. 45-49. In this work crystal data of bis[1-(diaminomethylene)-thiouron-1-ium] sulfate is shown. This compound was characterized by IR spectroscopy and elemental analysis. The monocrystal of this compound was obtained and the structure was confirmed by single X-ray analysis. Moreover, the work describes potential application of synthesized compound. Comparative characteristics of thiourea and its known salts are demonstrated. It is known, that derivatives of thiourea have several tautomeric forms, which can be different in crystalline state or in solution. Therefore, changed scheme of the synthesis of 2-imino-4-thiobiuret is proposed. Elemental cell of crystal consists of two 1-(diaminomethylene)thiouron-1-ium cations and one sulfat anion. A full set of X-ray diffraction data was deposited in the Cambridge Structural Database (deposit CCDC 1421710) and it can be gotten from the site www.ccdc.cam.ac.uk/data_request/cif.

A mononuclear cobalt(III) 3-(2-pyridyl)-5-phenyl-1,2,4-triazolato complex: hydrothermal synthesis, crystal structure, thermostability, and DFT calculations

2015 ◽  
Vol 70 (9) ◽  
pp. 631-636 ◽  
Author(s):  
Huaixian Liu ◽  
Lin Sun ◽  
Huiliang Zhou ◽  
Peipei Cen ◽  
Xiaoyong Jin ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Density Functional ◽  
Free Ligand ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
Functional Theory ◽  
X Ray ◽  
Mononuclear Cobalt

AbstractStarting with 1H-3-phenyl-5-(pyridin-2-yl)-1,2,4-triazole (1-Hppt), a Co(III) complex, [Co(ppt)3] (1), has been synthesized by reaction with CoF3 under hydrothermal conditions and characterized by its infrared spectrum and elemental analysis. The structure was determined by single-crystal and powder X-ray diffraction. Density functional theory (DFT) was employed to determine the optimized geometry and preferred conformation of the free ligand. A supramolecular network is formed via π–π stacking interactions. The conformation and geometry of the ligands correspond with the calculated results.

Synthesis, Structure and Characterization of a Novel Two-Dimensional Supramolecular Mn(II) Coordination Polymer Constructed from a 1,10-Phenanthroline Derivative and a Flexible Dicarboxylate

2010 ◽  
Vol 65 (9) ◽  
pp. 1173-1176 ◽  
Author(s):  
Zhi-Guo Kong ◽  
Xiao-Yuan Ma ◽  
Zhan-Lin Xu
Keyword(s):  
Ir Spectroscopy ◽  
Glutaric Acid ◽  
Title Complex ◽  
Two Dimensional ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
1D Chains

The title complex, [Mn2(glu)(L)2(HL)2]・0.5H2O (H2glu = glutaric acid, HL = 2-(2-chloro-6-fluorophenyl)-1Himidazo[ 4,5-f][1,10]phenanthroline) has been synthesized using a hydrothermal method and characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. Crystal data: C162H88Cl8F8Mn4N32O9, triclinic, space group P1¯, a = 14.932(5), b = 16.414(5), c = 17.891(5) Å , α = 115.851(5), β = 91.288(5), γ = 112.894(5)◦, V = 3536.4(19) Å3, Z = 1. Compound 1 exhibits 1D chains which are further stacked by C-H...π interactions to give two-dimensional supramolecular layers.

scholarly journals Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ4 N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data

2021 ◽  
Vol 77 (3) ◽  
pp. 222-225
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Complex Cation ◽  
Title Complex ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Bromide Anion ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral

The crystal structure of the title complex, cis-[Cr(NCS)2(cyclam)]Br (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)2(cyclam)]+ cation and one bromide anion. The CrIII ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr—N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups.

A Three-Dimensional Silver(I) Framework Assembled from Nitrilotriacetate

2005 ◽  
Vol 58 (2) ◽  
pp. 115 ◽  
Author(s):  
Chun-Long Chen ◽  
Qian Zhang ◽  
Ji-Jun Jiang ◽  
Qin Wang ◽  
Cheng-Yong Su
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Coordination Polymer ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Three Dimensional ◽  
Single Crystal Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Coordination Numbers

The reaction of AgCF3CO2 with nitrilotriacetate (NTA) yields the three-dimensional silver(i) coordination polymer {Ag3[N(CH2COO)3]}n 1 which was characterized by means of elemental analysis and IR spectroscopy as well as X-ray diffraction. The single crystal structure shows that the NTA3– anions act as unusual heptadentate 13-coordination agents and the silver(i) atoms exhibit various coordination numbers in the range 3–6.

Deposition And Characterization of CNx Films

1994 ◽  
Vol 339 ◽  
Author(s):  
X. T. Cui ◽  
Z. H. Zhang ◽  
Q. Y. Chen ◽  
F. Romero-Borja ◽  
J. R. Liu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Magnetron Sputtering ◽  
Annealing Effect ◽  
Single Bond ◽  
X Ray Diffraction ◽  
Dc Magnetron Sputtering ◽  
X Ray ◽  
Bonding Properties

ABSTRACTCNx films with x around 1.0 have been made by inverted cylindrical DC magnetron sputtering. RBS, XPS, IR spectroscopy, ERD and SEM were used to characterize the composition and bonding properties of the films, while X-ray diffraction was used for crystal structure determination. XPS data indicated the existence of the tetrahedral C3N4 phase in the CNx films, which was consistent with the C-N single bond suggested by IR spectra. The annealing effect on CNx films will also be discussed.

scholarly journals Synthesis, characterization and crystal structure of [Cu2(LH)2]•(ClO4)2. Influence of the weak Cu•••O(perchlorate) interaction on the structure of Cu2N2O2 metallocycle

2014 ◽  
Vol 79 (5) ◽  
pp. 545-556
Author(s):  
Marija Mirkovic ◽  
Nadezda Nikolic ◽  
Dusan Mijin ◽  
Milka Avramov-Ivic ◽  
Agnes Kapor ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Cyclic Voltammetry ◽  
Schiff Base ◽  
Ir Spectroscopy ◽  
Metal Complex ◽  
Aprotic Solvent ◽  
Metal Salt ◽  
Protic Solvent ◽  
X Ray Diffraction ◽  
X Ray

The diimine-dioxime ligand, 4,9-diaza-3,10-diethyl-3,9-dodecadiene-2,11-dione bisoxime (LH2), containing a N4 donor set was prepared by Schiff base condensation of 2-hydroxyimino-3-pentanone and 1,4-diaminobutane in two ways: in protic and in aprotic solvent. Higher yield of (LH2) imine was obtained when the synthesis was carried out using protic solvent (C2H5OH) instead of aprotic benzene (78% and 30%, respectively). Cu(II) metal complex of diimine-dioxime was synthesized in CH3OH from metal salt and LH2 in mole ratio 1:1. The isolated complex was characterized by the elemental analysis, IR spectroscopy and cyclic voltammetry. The structure of [Cu2(LH)2]?(ClO4)2 was determined by the single-crystal X-ray diffraction analysis. Comparison with the structurally related diimine-dioxime Cu(II) complexes revealed the influence of the weak Cu???O(perchlorate) interaction on the geometry of the metallocycle.

The molecular structure of high-spin (S = {\bf 5} \over {\bf 2}) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II)

2014 ◽  
Vol 70 (5) ◽  
pp. 449-451 ◽  
Author(s):  
Dmitri V. Konarev ◽  
Alexey V. Kuzmin ◽  
Salavat S. Khasanov ◽  
Rimma N. Lyubovskaya
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Bond Length ◽  
Single Crystals ◽  
High Spin ◽  
Complex Salt ◽  
Title Complex ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffusion Technique

The title complex salt, (C16H36N)[MnBr(C32H16N8)] or (TBA)[MnIIBr(Pc)] (TBA is tetrabutylammonium and Pc is phthalocyaninate), has been obtained as single crystals by the diffusion technique and its crystal structure was determined using X-ray diffraction. The high-spin (S = 5\over 2) [MnIIBr(Pc)]− macrocycle has a concave conformation, with an average equatorial Mn—N(Pc) bond length of 2.1187 (19) Å, an axial Mn—Br bond length of 2.5493 (7) Å and with the MnII cation displaced out of the 24-atom Pc plane by 0.894 (2) Å. The geometry of the MnIIN4 fragment in [MnIIBr(Pc)]− is similar to that of the high-spin (S = 5\over 2) manganese(II) tetraphenylporphyrin (TPP) in [MnII(1-MeIm)(TPP)] (1-MeIm is 1-methylimidazole).

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