Publications by authors named "Krishnan Rajeswari"
Crystal structure, Hirshfeld surface analysis, DFT and the mol-ecular docking studies of 3-(2-chloro-acet-yl)-2,4,6,8-tetra-phenyl-3,7-di-azabicyclo-[3.3.1]nonan-9-one.
Acta Crystallogr E Crystallogr Commun
September 2024
In the title compound, CHClNO, the two piperidine rings of the di-aza-bicyclo moiety adopt distorted-chair conformations. Inter-molecular C-H⋯π inter-actions are mainly responsible for the crystal packing. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis, revealing that H⋯H inter-actions contribute most to the crystal packing (52.
View Article and Find Full Text PDFIn the title compound, CHClNO, the seven-membered 1,4-diazepane ring adopts a chair conformation while the 4-chloro-phenyl substituents adopt equatorial orientations. The chloro-phenyl ring at position 7 is disordered over two positions [site occupancies 0.480 (16):0.
View Article and Find Full Text PDFSynthesis, crystal structure, stereochemical and Hirshfeld surface analysis of -di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ,')nickel(II) dichloride dihydrate.
Acta Crystallogr E Crystallogr Commun
October 2023
Article Synopsis
- The complex salt [Ni(CHN)(HO)]Cl·2HO contains a nickel(II) atom coordinated in an octahedral arrangement, with bidentate ligands and water molecules.
- The crystal structure includes hydrogen bonding interactions such as O-H⋯Cl and N-H⋯O, contributing to the stability and arrangement of the complex.
- Hirshfeld surface analysis shows that the predominant interactions in the crystal packing are H⋯H, O⋯H/H⋯O, and H⋯Cl, with a calculated void volume of 15.17%.