Can I read Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions on EtoBox?

Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions by Prince Ravat; Sunil SeethaLekshmi; Sharmita Nandy Biswas; Purnendu Nandy; Sunil Varughese is a Materials Science article available to read on EtoBox.

What is Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions about?

Structural equivalence is a general tool applied in crystal engineering for the predictable construction of molecular assemblies. In the present contribution we analyzed the equivalence of azo (-N=N-) and ethylene (-C=C-) bridges in the modular design of organic assemblies by studying 22 molecular complexes of 4,4'-azopyridine and 1,2-bis(4-pyridyl)ethene, of which 12 are novel. Unit cell similarity index (Π), as a numerical descriptor, was used to rationalize the observed equivalence/variance in the crystal packing of related complexes. A combined structural chemistry, database analysis and computational methods unveil the fact that the identity of the primary synthons alone does not ensure isostructurality; instead a concurrent effect of the contributions from both strong and weak/dispersive forces determines the structural equivalence. A statistical analysis based on a CSD survey features an apparent inverse correlation that exist between N•••I and I-I bond distances; a group of data points, however, deviate from this linear relation and was accounted on the basis of electrostatic potential distribution and interaction types.

Who reads Equivalence of Ethylene and Azo-Bridges in the Modular Design of Molecular Complexes: Role of Weak Interactions?

Author

Prince Ravat; Sunil SeethaLekshmi; Sharmita Nandy Biswas; Purnendu Nandy; Sunil Varughese

Publisher

American Chemical Society (ACS)

Published

2015

Language

EN

Field

Materials Science (Physical Sciences)