Synthesis, spectroscopy and crystal structure characterization, Hirshfeld surface analysis and Energy framework calculations of 1-acetyl-5-(2-(methylthio) ethyl)-2-thioxoimidazolidin-4-one

2021 ◽  
pp. 131070
Author(s):  
Benjamín Hernández ◽  
Pilar Narea ◽  
Jonathan Cisterna ◽  
Lindley Maxwell ◽  
Alejandro Cárdenas ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Hirshfeld Surface ◽  
Structure Characterization ◽  
Hirshfeld Surface Analysis

2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions

CrystEngComm ◽  
2021 ◽  
Author(s):  
Nicoleta Caimac ◽  
Elena Melnic ◽  
Diana Chisca ◽  
Marina S. Fonari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Surface Analysis ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Ionic Species ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Asymmetric Unit ◽  
Space Group

The title compound crystallises in the triclinic centrosymmetric space group P1̄ with an intriguing high number of crystallographically unique binary salt-like adducts (Z′ = 8) and a total number of ionic species (Z′′ = 16) in the asymmetric unit.

Study of the structure-bioactivity of fleximers: synthesis, crystal structure, Hirshfeld surface analysis, and anti-inflammatory assays

2021 ◽  
pp. 130513
Author(s):  
Ved Prakash Singh ◽  
Jayanta Dowarah ◽  
Brilliant N. Marak ◽  
Balkaran Singh Sran ◽  
Ashish Kumar Tewari
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Anti Inflammatory
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