Synthesis, structural characterisations, NMR spectroscopy, Hirshfeld surface analysis and electrochemical study of a new organic cyclohexaphosphate, (C 6 H 7 FN) 4 (Li) 2 (P 6 O 18 ) (H 2 O) 6

2018 ◽  
Vol 1170 ◽  
pp. 30-37 ◽  
Author(s):  
A. Hamdi ◽  
L. Khedhiri ◽  
M. Kahlaoui ◽  
S. Soudani ◽  
V. Ferretti ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Surface Analysis ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Electrochemical Study ◽  
O 18

scholarly journals Crystal structure and Hirshfeld surface analysis of 6,6′-((1E,1′E)-{[1,4-phenylenebis(methylene)]bis(azanylylidene)}bis(methaneylylidene))bis(2-methoxyphenol)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Sevgi Kansiz ◽  
Semanur Yesilbag ◽  
Necmi Dege ◽  
Eiad Saif ◽  
Erbil Agar
Keyword(s):  
Surface Analysis ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Monoclinic Space Group ◽  
Bond Forming ◽  
Compound C ◽  
Intermolecular Contacts ◽  
Schiff Base Compound ◽  
O 18 ◽  
Base Compound

The Schiff base compound, C24H24N2O4, was synthesized by the interaction of 2-hydroxy-3-methoxy benzaldehyde and 1,4-benzene dimethanamine in ethanol, and crystallizes in the monoclinic space group P21/n with Z′ = 0.5. The molecule is not planar, the 1,4-diethylbenzene and the phenol rings are twisted with respect to each other, making a dihedral angle of 74.27 (5)°. The molecular structure is stabilized by an O—H...N hydrogen bond, forming an S(6) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, resulting in the formation of sheets parallel to the bc plane. A Hirshfeld surface analysis was undertaken to investigate the various intermolecular contacts controlling the supramolecular topology, suggesting the H...O (18%) contacts to be the most significant interactions, whereas the H...H (50.5%) and C...H (24.3%) interactions are less significant.

Synthesis, Structural, Molecular Docking and Hirshfeld Surface Analysis of (2-((6-chloropyridin-3-yl)methoxy)-5 bromophenyl) (4-chlorophenyl) methanone

2018 ◽  
Vol 8 (2) ◽  
pp. 250-258
Author(s):  
B. N. Lakshminarayana ◽  
T. N. Mahadeva Prasad ◽  
N. R. Sreenatha ◽  
D. P. Ganesha ◽  
B. K. Manuprasad ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Surface Analysis ◽  
Hirshfeld Surface ◽  
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.

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