Crystal structure, surface analysis, and computational investigations of 1-(4-chloro-3-nitrophenyl)-6,7-dihydro-1H-benzo[d][1,2,3]triazol-4(5H)-one as potential acceptor molecule for photovoltaics applications

2022 ◽  
pp. 132349
Author(s):  
Harjinder Singh
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Acceptor Molecule ◽  
Structure Surface

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.

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