A study of crystal and molecular structure of commercially valued compounds

Abstract

The new technology integrating with X-ray crystallography helps to investigate and designing the new molecules which are useful in material science and drug molecules. newlineThe crystal structure analysis of few commercially valued compounds have been discussed in the following 6 chapters. newlineCHAPTER 1 newlineThe brief introduction on X-ray crystallography, chalcones, picolinate, cinnarizine compound and pyrazole derivatives taken for the analysis are presented. newlineChapter 2 newlineIn this chapter, materials for preparation of compounds and methods which are used for structure determination along with computer programming are discussed. The basic principles of single crystal X-ray crystallography, instrumentation are presented. Methods include Crystal selection, Intensity data collection, Data reduction, Structure solution, Refinement and Structure analysis. newlineChapter 3 newlineThis chapter deals with the crystal structure analysis of three chalcone derivatives with their synthesis, crystallization, three dimensional molecular structures and crystal packing analysis, with conclusion. newlineChapter 4 newlineThis chapter presents the crystal structure analysis of picolinate derivatives and cinnarizine derivatives, with their synthesis, crystallization, three dimensional molecular structures and crystal packing analysis of 2-(4-nitrophenyl)-2-oxoethyl picolinate and cinnarizinum 5-chlorosalicylate, with conclusion. newlineChapter 5 newlineThis chapter deals with the crystal structure analysis of two pyrazole derivatives, with their synthesis, crystallization, three dimensional molecular structures and crystal packing analysis, with conclusion. newlineChapter 6 newlineThis chapter presents the Hirshfeld Surfaces and summary of all the molecules analyzed. Further, scope for the future research work is discussed. newline