Cargando…
Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis
Three adamantane-1,3,4-thiadiazole hybrid derivatives namely; N-ethyl-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amine I, N-(4-fluorophenyl)-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amine II and (4-bromophenyl)-5-(adamantan-1-yl)-N-1,3,4-thiadiazole-2-amine III, have been synthesized and crystal structure...
Autores principales: | El-Emam, Ali A., Saveeth Kumar, Elangovan, Janani, Krishnakumar, Al-Wahaibi, Lamya H., Blacque, Olivier, El-Awady, Mohamed I., Al-Shaalan, Nora H., Percino, M. Judith, Thamotharan, Subbiah |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9050220/ https://www.ncbi.nlm.nih.gov/pubmed/35498588 http://dx.doi.org/10.1039/d0ra00733a |
Ejemplares similares
-
A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking
por: Al-Wahaibi, Lamya H., et al.
Publicado: (2023) -
Structural and
Energetic Properties of Weak Noncovalent
Interactions in Two Closely Related 3,6-Disubstituted-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Derivatives: In Vitro Cyclooxygenase
Activity, Crystallography, and Computational Investigations
por: Al-Wahaibi, Lamya H., et al.
Publicado: (2022) -
Weak Noncovalent Interactions in Three Closely Related Adamantane-Linked 1,2,4-Triazole N-Mannich Bases: Insights from Energy Frameworks, Hirshfeld Surface Analysis, In Silico 11β-HSD1 Molecular Docking and ADMET Prediction
por: Al-Wahaibi, Lamya H., et al.
Publicado: (2022) -
Crystallographic and Theoretical Exploration of Weak
Hydrogen Bonds in Arylmethyl N′-(adamantan-1-yl)piperidine-1-carbothioimidates
and Molecular Docking Analysis
por: Al-Mutairi, Aamal A., et al.
Publicado: (2021) -
X-ray Structures and Computational Studies of Two Bioactive 2-(Adamantane-1-carbonyl)-N-substituted Hydrazine-1-carbothioamides
por: Al-Wahaibi, Lamya H., et al.
Publicado: (2022)