Crystal engineering : the design of organic solids

Abstract

1. Molecular Crystals and Crystal Engineering. Crystal engineering. Why design crystal structures of organic molecules? Some extensions. Conclusions. 2. The Atom-Atom Potential Method and the Close-Packing Model for Molecular Crystals. Intermolecular forces in crystals. The atom-atom potential method. The close-packing model of Kitaigorodskii. Crystal structure prediction. Conclusions. 3. Crystallographic Databases and the Recognition of Intermolecular Patterns. The nature and growth of crystallographic information. The Cambridge structural database. Intermolecular patterns in crystals. Conclusions. 4. Structures Based Mostly on van der Waals Forces. Non-bonded interactions involving carbon and hydrogen atoms. Effects of van der Waals forces on crystal packing. Occupied and unoccupied volumes in crystals. Conclusions. 5. Some Structures Based on Hydrogen Bonding. Introduction. Rationalisation of hydrogen bonding patterns. The role of C-H...O interactions in determining crystal structures. Other types of hydrogen bonding in crystals. Conclusions. 6. Structures Based on Intermolecular Contacts to Halogen Atoms. The nature of halogen...halogen forces. The geometry of halogen...halogen interactions. Design of halogen...halogen stabilised crystal structures. Contacts between halogen and non-halogen atoms. Conclusions. 7. Structures Based on Intermolecular Contacts to Sulphur. The nature of sulphur...heteroatom contacts. Crystal design and engineering. Conclusion. 8. Designing Non-Centrosymmetric Crystals. Introduction. Some properties and applications of non-centrosymmetric crystals. Methods of crystal design. Non-centrosymmetry in other organised media. Conclusions. 9. Structures Based on Interactions Between Distinct Molecular Species: Solid Solutions, Donor-Acceptor Complexes and Clathrates. Design of crystal structures of molecular complexes. 10. Polymorphism - The Nemesis of Crystal Design? Polymorphism and crystal structure design. 11. Conclusions. Index.

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