Abstract
Crystal structure data are of fundamental importance in a wide spectrum of scientific activities. This chapter illustrates the value of the accumulated data from more than one-third of a million crystal structures of small organic and metal–organic compounds that are stored in the Cambridge Structural Database (CSD). CSD data are widely used in establishing standard molecular dimensions, determining conformational preferences, and in the study of intermolecular interactions, all of which are crucial in structural chemistry, rational drug design, pharmaceutical materials design, and drug delivery. More recently, information derived from the CSD has been used to construct two dynamic libraries of structural knowledge: Mogul, which stores intramolecular information, and IsoStar, which stores information about intermolecular interactions. These electronic libraries provide click-of-a-button access to structural information, and, in turn, serve as sources of knowledge for applications software that addresses specific problems in structural chemistry, rational drug design, and crystallography.
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