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Crystal interaction, XRD powder, and Hirshfeld surface analysis of S-benzyl-β-N-(1-(4-chlorophenyl) ethylidene) dithiocarbazate Schiff base


 
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1. Title Title of document Crystal interaction, XRD powder, and Hirshfeld surface analysis of S-benzyl-β-N-(1-(4-chlorophenyl) ethylidene) dithiocarbazate Schiff base
 
2. Creator Author's name, affiliation, country A. M. Boshaala, K. A. AlFarhan, H. M. Sheppaek, W. O. Algezzeri, A. Zarrouk(d), I. Warad.
 
3. Subject Discipline(s)
 
3. Subject Keyword(s) PXRD, dithiocarbazate; crystal structure, Hirshfeld analysis.
 
4. Description Abstract The reaction of S-benzyldithiocarbazate with 4-chloroacetophenone afforded bidentate NS Schiff base (S.B) S-benzyl-β-N-(1-(4-chlorophenyl)ethylidene) dithiocarbazate, the thione tautomeric is very interesting, usually such Schiff base chelated to the metal center through neutral nitrogen at in the azomethine and the ionic sulfur of the thiol. The ligand structure has been confirmed by FT-IR, FAB-MS, UV-vis, PXRD and XRD-crystal. The main target of this work is to compare the XRD-interactions with the computed result of Hirshfeld surface analysis (HSA). Both HSA and XRD reflected the presence of the NH…S=C and CH….S=C. H-bonds as main interactions forces in crystal lattice of the desired ligand. 
 
5. Publisher Organizing agency, location
 
6. Contributor Sponsor(s) no
 
7. Date (YYYY-MM-DD) 21-09-2020
 
8. Type Status & genre Peer-reviewed Article
 
8. Type Type
 
9. Format File format PDF
 
10. Identifier Uniform Resource Identifier https://revues.imist.ma/index.php/morjchem/article/view/22217
 
10. Identifier Digital Object Identifier (DOI) https://doi.org/10.48317/IMIST.PRSM/morjchem-v8i4.22217
 
11. Source Title; vol., no. (year) Moroccan Journal of Chemistry; Vol 8, No 4 (2020)
 
12. Language English=en en
 
13. Relation Supp. Files
 
14. Coverage Geo-spatial location, chronological period, research sample (gender, age, etc.)
 
15. Rights Copyright and permissions Copyright (c) 2020 Moroccan Journal of Chemistry