Synthesis, structural features, computational study along with molecular docking examination of organosulfur mercaptoacetic acid based compound
Yazarlar (6)
Sabiya Osmanova
Academician A.M. Guliyev Institute Of Chemistry Of Additives Ministry Of Science And Education Repub, Azerbaycan
Academician A.M. Guliyev Institute Of Chemistry Of Additives Ministry Of Science And Education Repub, Azerbaycan
Malahat Kurbanova
Baku State University, Azerbaycan
Baku State University, Azerbaycan
Muhammad Ashfaq University Of Sargodha, Pakistan
Mehran Feizi-Dehnayebi
Süleyman Demirel Üniversitesi, Türkiye
Süleyman Demirel Üniversitesi, Türkiye
Muhammad Nawaz Tahir
University Of Sargodha, Pakistan
University Of Sargodha, Pakistan
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Structural Chemistry (Q2) | ||
| Dergi ISSN | 1040-0400 Dergi Bilgileri (2025) | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2025 |
| Cilt / Sayı / Sayfa | 0 / 1 / 1–15 | DOI | 10.1007/s11224-025-02668-3 |
| Makale Linki | https://link.springer.com/article/10.1007/s11224-025-02668-3 | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| We carried out a thiylating reaction of p-nitroacetophenone with thioglycolic acid. The reaction was carried out in a benzene solution, with a molar ratio of the initial components of 1:4. 1,1-bis-(carboxymethylthio)-1-p-nitrophenylethane (CTNE). Structural features are evaluated via Fourier transform infrared (FT-IR) spectroscopy, 1H NMR and single crystal X-ray diffraction (XRD) analysis. Structure is composed of an organosulfur molecule and a water molecule. Organosulfur molecule adopted non-planar conformation supported via dihedral angle of 71.3 (4)° among carboxylic acid groups. Supramolecular organization is primarily supported via O-H⋯O bonding. Further stability of the supramolecular organization is due to π⋯π interactions with inter-centroid separation range from 3.85 to 4.01 Å. Strong and weaker interactions are evaluated via Hirshfeld surface analysis which showed that H⋯O contact has highest … |
| Anahtar Kelimeler |
| 1,1-bis-(carboxymethylthio)-1-p-nitrophenylethane | Crystal structure | DFT | Hirshfeld surface analysis | Molecular docking |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 2 |
| Scopus | 2 |
| Google Scholar | 2 |