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RISStructure determination from powder diffraction data (SDPD): X-ray polycrystallography of some organic and inorganic compounds
The routine method for the crystal structure determination is still single-crystal X-ray
analysis which require the single crystal sample with appropriate size and quality.
However, there are many solids in ...
Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters
On the basis of crystal engineering, two similar esters of phenyl pyridine-2-carboxylate (I) and phenyl
pyrazine-2-carboxylate (II) were designed and synthesized. The compounds were characterized using FTIR, mass ...
Conformational variation of ligands in mercury halide complexes; high and low Z′ structures
In this study, five new mercury halide complexes of [Hg(LPy)2Cl2] (1), [Hg(LPy)2Br2] (2), [Hg(LPy)2I2] (3), [Hg(LPz)2Cl2] (4) and [Hg(LPz)2Br2] (5) in which LPy is a phenyl pyridine-2-carboxylate and LPz is a phenyl ...
DFT study of the molecular structures, electronic properties and vibrational spectra of mercury(II) halidecomplexescontaining carboxamide ligand
Coordination compounds have been subject of intense research activity in many laboratories in
recent years because these materials show potential applications in the different areas of chemistry
[1,2]. The ...
Structural and electronic properties of mercury (II) halide complexes including flexible ligand: A density functional theory study
Non-covalent intermolecular interactions are the primary factors controlling the arrangement of molecules in the crystal packing structures [1]. A very large number of intermolecular interactions have been used in the ...
Syntheses, crystal structures, and properties of new Hg (II) complexes with rigid thiophen-based ligand: a crystal engineering approach
Crystal engineering deals with the evaluation and utilization of crystalline materials having specific function and fascinating assemblies and architectures [1]. The key to designing molecular building blocks understands ...