Hydrogen bonding in thiobenzamide synthon and its Cadmium complex: Crystal structure and Hirshfeld analysis
| العنوان: | Hydrogen bonding in thiobenzamide synthon and its Cadmium complex: Crystal structure and Hirshfeld analysis |
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| المؤلفون: | Abdelhamid Ben Salah, Ines Rigane, Siwar Walha |
| المصدر: | Journal of Chemical Sciences. 128:1395-1404 |
| بيانات النشر: | Springer Science and Business Media LLC, 2016. |
| سنة النشر: | 2016 |
| مصطلحات موضوعية: | 010405 organic chemistry, Chemistry, Hydrogen bond, Inorganic chemistry, Synthon, Stacking, Supramolecular chemistry, General Chemistry, Crystal structure, 010402 general chemistry, 01 natural sciences, Cadmium sulfide, 0104 chemical sciences, Crystallography, chemistry.chemical_compound, Molecule, Single crystal |
| الوصف: | The thiobenzamid TBA and its Cd(II) complex, dichlorothiobenzamidecadmium(II) [Cd(TBA)Cl2] complex has been synthesized and characterized by FT-IR, FT-Raman and UV–Vis spectroscopy. The crystal and molecular structure of TBA and [Cd(TBA)Cl2] were determined by single crystal X-ray diffraction analysis. The molecular arrangement in the crystal structure of TBA can be described on the basis of supramolecular dimeric synthons built up by four independent TBA molecules stacked via N-H…S hydrogen bonds. The 3D Hirshfeld surfaces and the associated 2D fingerprint plots were investigated for intermolecular interactions. The N-H…S hydrogen bond percentages were estimated to be 23.1%, 22.9%, 30.6% and 27.3% of Hirshfeld surfaces area respectively for each TBA molecule. Synthons are associated through C–H…π interactions at percentage of 33.8%, 38.2%, 24.3% and 19.4% to result in 3D network. The dichlorothiobenzamide cadmium(II) complex bonded by sulfur atom of thiobenzamide shows a double chain of distorted octahedra around the cadmium atoms running along the a axis and the packing is stabilized by intra- and inter-chain hydrogen bonding interactions of the type N–H…Cl and aromatic π…π stacking interactions between ring centroids at 21.8% and 7.6% of the Hirshfeld surface area, respectively. The decomposition of the complex to cadmium sulfide has been investigated by thermogravimetric analysis (TGA). |
| تدمد: | 0973-7103 0974-3626 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::4bf43a579152a7fad248c8b6990646fb https://doi.org/10.1007/s12039-016-1133-x |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi...........4bf43a579152a7fad248c8b6990646fb |
| قاعدة البيانات: | OpenAIRE |
Find this article in full text from Springer Verlag. | تدمد: | 09737103 09743626 |
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