First crystalline salt of 1,1-bis-(carboxymethylthio)-1-phenylethane: synthesis, crystal structure, Hirshfeld surface analysis, and computational study
Yazarlar (11)
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
Jaweria Ambreen
Comsats University Islamabad, Pakistan
Comsats University Islamabad, Pakistan
Muhammad Ashfaq University Of Sargodha, Pakistan
Muhammad Nawaz Tahir
University Of Sargodha, Pakistan
University Of Sargodha, Pakistan
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Khizar Hussain Shah
Comsats University Islamabad, Pakistan
Comsats University Islamabad, Pakistan
Aseel Smerat
Al-Ahliyya Amman University, Ürdün
Al-Ahliyya Amman University, Ürdün
Youness El Bakri
South Ural State University, Rusya Federasyonu
South Ural State University, Rusya Federasyonu
Hazrat Bilal
Sun Yat-Sen University, Çin
Sun Yat-Sen University, Çin
Rashad Al-Salahi
College Of Pharmacy, Suudi Arabistan
College Of Pharmacy, Suudi Arabistan
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Sulfur Chemistry (Q3) | ||
| Dergi ISSN | 1741-5993 Dergi Bilgileri (2026) | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2026 |
| Cilt / Sayı / Sayfa | 47 / 1 / – | DOI | 10.1080/17415993.2026.2635450 |
| Makale Linki | https://www.tandfonline.com/doi/abs/10.1080/17415993.2026.2635450 | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| The reaction of 1,1-bis-(carboxymethylthio)-1-phenylethane with piperidine was conducted in an acetone solution at a molar ratio of the initial components of 1:2. As a result, a new compound was obtained: piperidinium-1,1-bis-(carboxymethylthio)-1-phenylethane, characterized by FT-IR. The crystal structure of the synthesized compound is structurally elucidated via single crystal XRD technique, indicating that a H-atom is transferred from half of the piperidinium-1,1-bis-(carboxymethylthio)-1-phenylethane part to the piperidine ring and the structure is a salt in nature. N–HO and C–HO bondings contribute to the stability and enforcement of crystal packing; further assessment is supported via Hirshfeld surface analysis, considering interatomic contacts. We employed density functional theory (DFT)-based computations along with molecular dynamics (MD) simulations in a systematic manner, aiming for the … |
| Anahtar Kelimeler |
| crystal structure | DFT study | Hirshfeld surface analysis | Piperidinium-1,1-bis-(carboxymethylthio)-1-phenylethane |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 3 |
| Scopus | 1 |
| Google Scholar | 3 |