Crystallographic investigation, Hirshfeld surface analysis, and computational studies approach of 4, 5, 8a-triphenylhexahydropyrimido [4, 5-d] pyrimidine-2, 7 (1 H, 3 H)-dithione
Yazarlar (11)
Malahat Kurbanova
Baku State University, Azerbaycan
Baku State University, Azerbaycan
Muhammad Ashfaq
University of Sargodha, Pakistan
University of Sargodha, Pakistan
Kandasamy Saravanan
Saveetha College of Nursing, Hindistan
Saveetha College of Nursing, Hindistan
Muhammad Nawaz Tahir University of Sargodha, Pakistan
Ulkar Alizada
Baku State University, Azerbaycan
Baku State University, Azerbaycan
Afaq Zamanova
Baku State University, Azerbaycan
Baku State University, Azerbaycan
Aseel Smerat
Al-Ahliyya Amman University, Ürdün
Al-Ahliyya Amman University, Ürdün
Sabiya Osmanova
Ministry of Science And Education of The Republic of Azerbaijan, Azerbaycan
Ministry of Science And Education of The Republic of Azerbaijan, Azerbaycan
Youness El Bakri
South Ural State University, Rusya Federasyonu
South Ural State University, Rusya Federasyonu
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Rashad Al-Salahi
Sinop Üniversitesi, Suudi Arabistan
Sinop Üniversitesi, 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 | – | Basım Tarihi | 06-2026 |
| Kabul Tarihi | 07-06-2026 | Yayınlanma Tarihi | 23-06-2026 |
| Cilt / Sayı / Sayfa | 47 / 4 / 553–576 | DOI | 10.1080/17415993.2026.2687572 |
| Makale Linki | https://www.tandfonline.com/doi/abs/10.1080/17415993.2026.2687572 | ||
| UAK Araştırma Alanları |
|
||
| Özet |
| When benzaldehyde, acetophenone, and thiourea are condensed in the presence of HCl, a compound, which is 4,5,8a-triphenylhexahydropyrimido[4,5-d]pyridine-2,7(1H,3H)-dithione (THPD) is derived (Barbero et al., A Brønsted acid catalysed enantioselective Biginelli reaction. Green Chem. 2017;19:1529–1535. doi:10.1039/C6GC03274E). The structure of the compound synthesized was confirmed by using the single crystal X-ray diffraction technique, which showed that the asymmetric unit consisted of two crystallographically independent molecules with the core being a fused hexahydropyrimido[4,5-d]pyrimidine. The hydrogen bonding and aromatic ring interactions to support crystal packing were investigated by Hirshfeld surface analysis. The electronic structure and charge-transfer properties of the title compound were investigated using density functional theory (DFT) calculations to complement the … |
| Anahtar Kelimeler |
| crystal structure | DFT study | Multicomponent condensation | Pyrimido[4,5-d]pyrimidine derivative | QTAIM |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 1 |
| Google Scholar | 1 |