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(searched for: doi:10.5155/eurjchem.3.1.37-39.591)
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, , , , Raul Ramos, Raúl Mocelo, Eduardo E. Castellano,
Published: 1 December 2019
Arabian Journal of Chemistry, Volume 12, pp 3454-3462; doi:10.1016/j.arabjc.2015.10.006

Abstract:
In this paper, the title compound was synthesized from N-benzoyl-N′,N′-dibenzylthiourea ligand and potassium tetrachloroplatinate(II), and its interaction with human (HSA) and bovine (BSA) serum albumin was evaluated. Also, the crystal structure was determined from single-crystal X‐ray diffraction, confirming that the platinum atom is coordinated with two chelated N-benzoyl-N′,N′-dibenzylthiourea ligands in a distorted square-planar geometry. In the solid state, Hirshfeld surface analysis emphasizes that the molecules are connected by non-classical C–H⋯C, C–H⋯S and H⋯H intermolecular contacts. These weak interactions can be mainly responsible due to complex-BSA and complex-HSA binding. The complex interacts differently with HSA and BSA such as observed by the binding constant, Kb, presenting values of around 105 M−1 and 104 M−1, respectively. Thermodynamic parameters (ΔG, ΔH and ΔS) suggest spontaneous interactions between complex and the proteins. Graphical Figure optionsDownload full-size imageDownload as PowerPoint slide
European Journal of Chemistry, Volume 10, pp 139-145; doi:10.5155/eurjchem.10.2.139-145.1838

Abstract:
The Schiff base 3-(2-hydroxy-phenylimino)-1,3-diphenyl-propan-1-one (L), was prepared and characterized by elemental analysis, IR, 1H NMR and mass spectral techniques. The crystal and molecular structures were determined by using the single crystal X-ray diffraction data. The crystal was triclinic with unit-cell dimensions: a = 9.051(3) Å, b = 10.245(3) Å, c = 11.016(3) Å, α = 69.28(2)°, β = 81.66(2)°, γ = 64.25(2)°, space group is Pī and Z = 2. The structure was refined by least squares method. The single crystal was prepared by supersaturating method using tetramethoxysilane as gelling agent. Energy minimization for locating stable conformations and single point energy calculations for comparing the obtained and calculated conformations of the same molecule were carried out using molecular mechanics method (MM2 force field). The bond lengths and the bond angles were calculated and compared with the values obtained from the single crystal analysis. The obtained results were discussed and evaluated. Generally, the calculated parameters are in good agreement with the corresponding X-ray diffraction values. The obtained results reveal that, the amine-imine tautomerism is more preferable than keto-enol form and the intra-hydrogen bond stabilize the amine-imine tautomerism.
European Journal of Chemistry, Volume 9; doi:10.5155/eurjchem.9.4.360-368.1774

Abstract:
Thiourea derivatives [N-(di-n-propylcarbamothioyl)-4-fluorobenzamide (HL1) and N-(di-n-propylcarbamothioyl)-4-bromobenzamide (HL2)] and their platinum complexes have been successfully synthesized and structurally characterized by spectroscopic 1H NMR, 13C NMR, COSY, HMQC, and FT-IR techniques. The structure of both complexes was also confirmed by single crystal X-ray diffraction studies. The study of X-ray single crystal diffraction shows that the supramolecular aggregation of the complexes is stabilized via weak interactions as well as stacking interactions such as C-H···π and π···π. The cis-[Pt(L1-S,O)2 showed C–H···π and π···π stacking interactions, whereas only C–H···π stacking interaction was observed in cis-[Pt(L2-S,O)2]. In addition, the strong classical and non-classical intermolecular hydrogen bonds are not found in the prepared complexes. Therefore, it can be said that the C–H···π and π···π stacking interactions play an important role in the formation of supramolecular structures of the complexes.
European Journal of Chemistry, Volume 8; doi:10.5155/eurjchem.8.4.410-416.1650

Abstract:
The compound N-(dibenzylcarbamothioyl)-3-methylbutanamide as a thiourea derivative was synthesized and structurally characterized by NMR and FT-IR spectroscopic techniques. The molecular structure of compound was also characterized by single crystal X-ray diffraction method. Crystal data for title compound C20H24N2OS: monoclinic, space group C2/c (no. 15), a = 19.6882(9) Å, b = 9.4045(4) Å, c = 19.5012(8) Å, β = 98.433(2)°, V = 3571.8(3) Å3, Z = 8, μ(CuKα) = 1.665 mm-1, 25057 reflections measured (9.168° ≤ 2Θ ≤ 144.196°), 3500 unique (Rint = 0.0322, Rsigma = 0.0200) which were used in all calculations. The final R1 was 0.0363 (I>2σ(I)) and wR2 was 0.0910 (all data). Intermolecular contacts obtained from X-ray single crystal diffraction study were also explored using both Hirshfeld surfaces and fingerprint plots. Hirshfeld surface analysis showed the occurrence of S···H, O···H and H···H contacts that display an important role to crystal packing stabilization of the thiourea derivative compound. In addition, the compound was evaluated for both their in-vitro antibacterial and antifungal activity.
, , Nagaraja Naik, Jameel Ahmed S. Mulla,
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 141, pp 88-93; doi:10.1016/j.saa.2014.11.068

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Naushad Ahmad, Rizwan Wahab, Suliman Yousef Al Oma
European Journal of Chemistry, Volume 5, pp 155-161; doi:10.5155/eurjchem.5.1.155-161.929

Published: 11 September 2013
Journal of Sulfur Chemistry, Volume 35, pp 318-355; doi:10.1080/17415993.2013.834904

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Gün Binzet, Gülten Kavak, Nevzat Külcü, Süheyla Özbey, Ulrich Flörke,
Published: 3 September 2013
Journal of Chemistry, Volume 2013, pp 1-9; doi:10.1155/2013/536562

Abstract:
New benzoyl thiourea derivatives and their nickel and copper complexes were synthesized. The structure of the synthesized compounds were confirmed by elemental analysis, FT-IR, and1H NMR techniques. Four of the synthesized compounds are analyzed by X-ray single crystal diffraction technique. WhereasN,N-dimethyl-N′-(4-fluorobenzoyl)thiourea,N,N-diethyl-N′-(4-fluorobenzoyl)thiourea, andN,N-di-n-butyl-N′-(4-fluorobenzoyl) thiourea crystallize in the monoclinic system,bis(N,N-di-n-propyl-N′-(4-fluorobenzoyl)thioureato) nickel(II) complex crystallizes in the triclinic system. These ligand molecules form dimers through strong intermolecular hydrogen bonds such as N–H⋯S, C–H⋯O, and N–H⋯O. Moreover, there are different types of intramolecular interactions in the crystal structures.Bis(N,N-dimethyl-N′-(4-fluorobenzoyl)thioureato) nickel(II) complex has a nearly square-planar coordination. The distance of nickel atom from the best plane through the coordination sphere is 0.029 Å.
Bonell Schmitt, , Eric Hosten, Richard Betz
Published: 1 October 2012
Inorganic Chemistry Communications, Volume 24, pp 136-139; doi:10.1016/j.inoche.2012.08.008

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European Journal of Chemistry, Volume 3; doi:10.5155/eurjchem.3.2.211-213.594

Abstract:
The title compound, C32H44Br2CuN4O2S2, was synthesized from 4-bromo-N-(dibutylcarbamothioyl)benzamide ligand and copper(II)acetate. The crystal structure of bis(4-bromo-N-(di-n-butylcarbamothioyl)benzamido) copper(II) complex was determined from single crystal X-ray diffraction studies. It crystallizes in the triclinic space group, P-1 (no. 2) with unit cell dimensions of a = 8.519(10) Å, b = 16.64(2) Å, c = 25.78(4) Å, α = 77.11(3)o, β = 85.59(3)o, γ = 89.46(2)o , Z = 4 and V = 795.8(6) Å3. The crystal structure is stabilized by weak C-H…N, C-H…S and C-H…Br hydrogen-bonding interactions.
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