Supramolecular Assembly Interceded by C-H···O Hydrogen Bonds and Nitro···π(arene) Interactions of Antibacterial 4-Methyl-(2-nitro benzylidene)aniline using DFT and its Spectral Studies

4-Methyl-(2-nitrobenzylidene)aniline (MNBA) was grown and its structural as well as spectral analyses (FT-IR, FT-Raman, UV and NMR) using experimental and DFT computations were performed to understand its biological applications. Stability of molecule, charge delocalization, charge analysis and charge transfer interactions had been explored to examine the structural analysis. Docking studies also suggested that 4-methyl-(2-nitrobenzylidene)aniline exhibit antibacterial activity. Supramolecular assembly of 4-methyl-(2-nitrobenzylidene)aniline molecule was interceded by C-H···O hydrogen bonds and nitro···π(arene) interactions.

Structure and spectroscopic properties ofN,S-coordinating 2-methylsulfanyl-N-[(1H-pyrrol-2-yl)methylidene]aniline methanol monosolvate

The reaction of pyrrole-2-carboxaldehyde and 2-(methylsulfanyl)aniline in refluxing methanol gave an olive-green residue in which yellow crystals of the title compound, C12H12N2S·CH3OH, were grown from slow evaporation of methanol at 263 K. In the crystal, hydrogen-bonding interactions link the aniline molecule and a nearby methanol solvent molecule. These units are linked by a pair of weak C—H...Omethanolinteractions, forming inversion dimers consisting of two main molecules and two solvent molecules.

Dianilinium bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6)cuprate(II) hexahydrate

The asymmetric unit of the title complex, (C6H8N)2[Cu(C7H3NO4)2]·6H2O, contains half a copper(II)–dipicolinate complex located on a twofold rotation axis, one protonated aniline molecule and three solvent water molecules. The CuIIatom is coordinated by four O atoms and two N atoms from two dipicolinate ligands in a distorted octahedral environment. In the crystal, the components are linked into a three-dimensional framework by intermolecular O—H...O and N—H...O interactions.

Radical Intermediates in Electrochemical Polymer-Forming Reactions

The role of organic radicals in the formation of functional polymers, in particular intrinsically conducting polymers, is reviewed. New results recently obtained with in situ spectroscopic methods illustrating the influence of the molecular structure of monomers (aniline and substituted anilines) in the behaviour of radical intermediates are presented. The stabilising influence of substituents at various positions of the aniline molecule is evaluated and compared based on conceivable structures of reaction intermediates.