Organic compounds crystal structure analyses

The Cambridge Structural Database (CSD) is the repository for the results obtained from the X-ray crystal structure analysis of organic and organometallic compounds... 

To get a more practical view on the whole procedure, a real X-ray structural analysis of compound 1 (Fig. 9.9, an imine obtained from the reaction of salicylal-dehyde and p-chloroaniline) is presented here. Compound 1 is a small, purely organic molecule with an elemental composition of CijHioClNO and FW of 231.67 and forms very well-diffracting single crystals. 

However, if we are to understand and classify the varied bonding models in metallo-organics, then the systematic analysis of crystallographic results for carefully chosen classes and subclasses of these compounds represents an essential starting point. Indeed, crystal structure analysis has underpinned the rapid developments in metallo-organic chemistry, particularly over the past 10-15 years, to the extent that some 48% of CSD entries now fall into this category. For these reasons, no modern review of triple-bonded functional groups would be complete without some consideration of their interaction with metal centres. 

A crystal is a solid with a periodic lattice of microscopic components. This arrangement of atoms is determined primarily by X-ray structure analysis. The smallest unit, called the unit cell, defines the complete crystal, including its symmetry. Characteristic crystallographic 3D structures are available in the fields of inorganic, organic, and organometallic compounds, macromolecules, such as proteins and nucleic adds. 

The first structural study of a UPD layer involved the formation of a series of Agl monolayers on Pt(lll) single crystals [132, 133], Pt is the quintessential catalytic metal, and thus reacts with almost any organic compound, other than simple alkanes [134], in other words, it is easily contaminated. In the early days of UHV-EC studies, contamination during transfer of Pt single crystals from the analysis chamber to the electrochemical cell and back was the chief stumbling block to well-defined studies of... 

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