A comparative study of X-ray structural analysis, supramolecular investigation by Hirshfeld surface analysis and DFT computations for tricyclic 1,4-benzodiazepines
Yazarlar (9)
Malahat Kurbanova
Baku State University, Azerbaycan
Baku State University, Azerbaycan
Atazaz Ahsin
Institute Of Chemistry Chinese Academy Of Sciences, Çin
Institute Of Chemistry Chinese Academy Of Sciences, Çin
Gaya Aliyev
Baku State University, Azerbaycan
Baku State University, Azerbaycan
Muhammad Ashfaq University Of Sargodha, Pakistan
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Muhammad Nawaz Tahir
Sinop Üniversitesi, Türkiye
Sinop Üniversitesi, Türkiye
Hatem A. Abuelizz
College Of Pharmacy, Suudi Arabistan
College Of Pharmacy, Suudi Arabistan
Rashad Al-Salahi
College Of Pharmacy, Suudi Arabistan
College Of Pharmacy, Suudi Arabistan
Youness El Bakri
South Ural State University, Rusya Federasyonu
South Ural State University, Rusya Federasyonu
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q2) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2025) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2025 |
| Cilt / Sayı / Sayfa | 1322 / 1 / 140531–0 | DOI | 10.1016/j.molstruc.2024.140531 |
| Makale Linki | https://doi.org/10.1016/j.molstruc.2024.140531 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| The tricyclic 1,4-benzodiazepines - seven-membered heterocyclic compounds were synthesized derived from the three-component reaction involving o-phenylenediamine, 5,5-dimethyl-1,3-cyclohexanedione and various aromatic aldehydes under the influence of HCl. The crystal structure of 11-(3-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (NDDD) and 11-(2-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CDDD) corroborated through single crystal X-ray diffraction method. The Hirshfeld surface analysis indicates crystal packing along with role of intermolecular forces in stabilizing supramolecular assembly of NDDD and CDDD. 2D fingerprint analysis is carried out to envisage to the elemental interactions in the assumption of a single crystal containing molecular fragments. DFT investigations have been carried out to understand … |
| Anahtar Kelimeler |
| Crystal structure | Hirshfeld surface analysis | NBO-NLO analysis, QTAIM | Tricyclic 1,4-benzodiazepines |
Science Direct
A comparative study of X-ray structural analysis, supramolecular investigation by Hirshfeld surface analysis and DFT computations for tricyclic 1,4-benzodiazepines
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 12 |
| Scopus | 11 |
| Google Scholar | 14 |