Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies

New metal complexes are synthesized and characterized by elemental analysis, mass spectrometry, spectroscopic, TGA and X-ray techniques. The compounds were evaluated in anin vitrocytotoxicity. Interaction of the samples with HSA was investigated.

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Synthesis, crystal structure, aggregation-induced emission (AIE) and electroluminescence properties of a novel emitting material based on pyrrolo[3,2-b]pyrrole

Journal of Materials Chemistry C ◽

10.1039/d0tc03431b ◽

2020 ◽

Vol 8 (40) ◽

pp. 14208-14218

Author(s):

Hongbo Wang ◽

Jinnan Huo ◽

Hongbo Tong ◽

Xuehong Wei ◽

Ying Zhang ◽

...

Keyword(s):

Crystal Structure ◽

Mass Spectrometry ◽

Nmr Spectroscopy ◽

Elemental Analysis ◽

Donor Group ◽

Aggregation Induced Emission ◽

X Ray ◽

X Ray Crystallography

A novel electroluminescent material based on pyrrolo[3,2-b]pyrrole as skeleton and donor group and dimesitylborons as accept groups has been synthesized and characterized by elemental analysis, mass spectrometry, NMR spectroscopy and X-ray crystallography.

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Nitridomolybdenum Complexes of Tris(3,5-dimethylpyrazol-1-yl)Hydroborate and the X-Ray Crystal-Structure of {HB(3,5-Me2C3N2H)3)MoN(N3)2

Australian Journal of Chemistry ◽

10.1071/ch9901347 ◽

1990 ◽

Vol 43 (8) ◽

pp. 1347 ◽

Cited By ~ 8

Author(s):

CG Young ◽

F Janos ◽

MA Bruck ◽

PA Wexler ◽

JH Enemark

Keyword(s):

Crystal Structure ◽

Mass Spectrometry ◽

Least Squares ◽

Elemental Analysis ◽

Bond Distance ◽

Octahedral Complex ◽

Fourier Methods ◽

X Ray ◽

Distorted Octahedral ◽

R Value

The reaction of (NEt4)2[MoNCl5] and K{HB(Me2pz)3}[HB(Me2pz)3- = tris (3,5- dimethylpyrazol-1-yl) hydroborate anion] produces both purple, diamagnetic {HB(Me2pz)3}MoNCl2 (1) and yellow, paramagnetic Net4 [{HB(Me2pz)3}MoNCl2] (2) (e.s.r.: {g} 1.961, {a}(95Mo) 57×10-4 cm-1), which have been separately isolated under different conditions. In contrast, the reaction of [ MoN (N3)4]- with Na{HB(Me2pz)3} results in the exclusive formation of red {HB(Me2pz)3} MoN (N3)2 (3). Crystals of (3) are monoclinic and belong to space group P21/n with a 16.440(2), b 8.787(2), c 16.754(2) Ǻ,β 112.47(1)°, V 2236.4 Ǻ3, and Z 4. The structure was solved by Patterson and Fourier methods, followed by least-squares refinement, using 3208 reflections, to a conventional R value of 0.032 ( Rw 0.047). In the distorted octahedral complex the molybdenum(VI) atom is coordinated by a facial HB(Me2pz)3- ligand , a terminal nitrido ligand with a Mo-N bond distance of 1.646(4)Ǻ, and two azide ligands. All complexes have been characterized by elemental analysis, infrared, 1H n.m.r. or e.s.r. spectroscopy, and mass spectrometry. Improved syntheses for the starting materials (NEt4)2 [MoNCl5] and (NEt4)2 [MoNCl4] are also reported.

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Synthesis, Characterisation and Crystal Structure of a New Bis-tripodal Ligand: N,N,N′,N′-tetrakis[(1,5-dimethylpyrazol-3-yl)methyl]-1,4-phenylenediamine

Journal of Chemical Research ◽

10.3184/0308234054213528 ◽

2005 ◽

Vol 2005 (4) ◽

pp. 242-244 ◽

Cited By ~ 6

Author(s):

Ibrahim Bouabdallah ◽

Abdelkrim Ramdani ◽

Ismail Zidane ◽

Rachid Touzani ◽

Driss Eddike ◽

...

Keyword(s):

Crystal Structure ◽

Mass Spectrometry ◽

Elemental Analysis ◽

Spectroscopic Data ◽

Target Compound ◽

Tripodal Ligand ◽

Space Group ◽

X Ray ◽

H Nmr

The synthesis of a new bis-tripodal ligand N,N,N′,N′-tetrakis[(1,5-dimethylpyrazol-3-yl)methyl]-1,4-phenylenediamine is reported and clearly established from its spectroscopic data (IR, 1H NMR, mass spectrometry) and elemental analysis. The X-ray structure of the target compound has been determined and the pyrazolyl ligand crystallises in the space group P-1 [C30H40N10; a = 7.1533(7)Å; b = 9.7541(10)Å; c = 10.7169(10)Å; α = 94.420(8)°; β = 97.920(8)°; γ = 108.088(9)°, Z = 2].

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Synthesis, Characterization, Crystal Structure, and Cytotoxicity of a 7-Coordinate Diorganotin(IV) Complex of 2-Acetylpyrazine N4-Methylthiosemicarbazone

Zeitschrift für Naturforschung B ◽

10.1515/znb-2012-0206 ◽

2012 ◽

Vol 67 (2) ◽

pp. 149-153 ◽

Cited By ~ 1

Author(s):

Xian Feng Zhu ◽

Li Zhi Zhang ◽

Min Yang ◽

Yan Ke Li ◽

Ming Xue Li

Keyword(s):

Crystal Structure ◽

Mass Spectrometry ◽

Nmr Spectroscopy ◽

X Ray Diffraction ◽

Leukaemia Cell ◽

Leukaemia Cell Line ◽

X Ray ◽

Thiosemicarbazone Ligand ◽

Biological Studies

The diorganotin(IV) complex [Ph2Sn(L)(CH3COO)] (1), where HL = 2-acetylpyrazine N4-methyl thiosemicarbazone, has been synthesized and characterized by elemental analysis, IR, UV/Vis and NMR spectroscopy, mass spectrometry, and single-crystal X-ray diffraction. Complex 1 contains mononuclear neutral molecules composed of one N2S tridentate anionic thiosemicarbazone ligand, one acetato group, and one Ph2Sn(IV) group with a seven-coordinated tin atom. In vitro biological studies have indicated that complex 1 shows effective cytotoxicity with IC50 = 5.4 μM against the K562 leukaemia cell line.

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Structural investigation of group 10 metal complexes with thiosemicarbazone: crystal structure, mass spectrometry, Hirshfeld surface and in vitro antitumor activity

Structural Chemistry ◽

10.1007/s11224-020-01564-2 ◽

2020 ◽

Vol 31 (5) ◽

pp. 2093-2103

Author(s):

Carolane M. Almeida ◽

João G. M. de Carvalho ◽

Mahmi Fujimori ◽

Eduardo L. França ◽

Adenilda C. Honorio-França ◽

...

Keyword(s):

Crystal Structure ◽

Mass Spectrometry ◽

Antitumor Activity ◽

Metal Complexes ◽

Structural Investigation ◽

Hirshfeld Surface ◽

Group 10

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NMR Studies and Crystal Structure Determinations of CF3 Group-containing Bicyclic Phenolates

Zeitschrift für Naturforschung B ◽

10.1515/znb-2009-0411 ◽

2009 ◽

Vol 64 (4) ◽

pp. 423-426 ◽

Cited By ~ 1

Author(s):

Constantin Mamat ◽

Helmut Reinke ◽

Peter Langer

Keyword(s):

Crystal Structure ◽

Mass Spectrometry ◽

Hydrogen Bonding ◽

Ir Spectroscopy ◽

Elemental Analysis ◽

Nmr Studies ◽

Enol Ethers ◽

X Ray ◽

Silyl Enol Ethers ◽

Structure Determinations

Three new CF3-substituted bicyclic salicylate derivatives were synthesized by the TiCl4-mediated cyclization of trifluoromethyl-containing ketones with 1,3-bis(silyl enol ethers) and characterized by NMR and IR, spectroscopy, mass spectrometry and elemental analysis. The crystal structures of the bicyclic derivatives have been determined by single crystal X-ray analysis. All structures exhibit hydrogen bonding.

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4-vinylpyridine derivatives: Protonation, methylation and silver(I) coordination chemistry

Journal of Chemical Research ◽

10.1177/1747519821989659 ◽

2021 ◽

pp. 174751982198965

Author(s):

Guoqi Zhang

Keyword(s):

Mass Spectrometry ◽

Schiff Base ◽

Coordination Chemistry ◽

Elemental Analysis ◽

Silver Complex ◽

Spectroscopic Techniques ◽

X Ray ◽

X Ray Crystallography ◽

Pyridine Moiety ◽

New Compounds

( E)-4-[2-(Pyridin-4-yl)vinyl]benzaldehyde, containing both a 4-vinylpyridine and an aldehyde functionality, is utilized to develop new, highly conjugated chalcone compounds and a bis-Schiff base azine compound. The chalcone-containing compounds are further explored for their protonation, methylation and silver(I) coordination chemistry using the pyridine moiety. In parallel, a cyano-containing analogue, ( E)-4-[2-(pyridin-4-yl)vinyl]benzonitrile is also synthesized and studied for its silver(I) coordination chemistry. These new compounds are fully characterized by mass spectrometry, elemental analysis and spectroscopic techniques. The methylated product of ( E)-1-(9-anthryl)-3-{4-[2-(pyridin-4-yl)vinyl]phenyl}prop-2-en-1-one and a silver complex of ( E)-4-[2-(pyridin-4-yl)vinyl]benzonitrile are structurally determined by X-ray crystallography.

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

Chemistry ◽

10.3390/chemistry3010013 ◽

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.

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