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Informationen zum Autor Edward R. T. Tiekink is the editor of Organic Crystal Engineering: Frontiers in Crystal Engineering, published by Wiley. Jagadese Vittal is the editor of Organic Crystal Engineering: Frontiers in Crystal Engineering, published by Wiley. Klappentext Crystal Engineers are dedicated to controlling the way molecules aggregate in the crystalline phase and therefore are concerned with crystal structure prediction, polymorphism, and discovering the relative importance of different types of intermolecular forces and their influence on molecular structure. Crystal Engineers are exploiting the fruits of their labours by discovering new and important properties of their new materials. Organic Crystal Engineering provides reviews of topics in this field that will be of interest to all researchers in molecular solid-state chemistry. Specialist reviews written by internationally recognized researchers, drawn from both academia and industry, include discussions on: the role of the Cambridge Structural Database in crystal engineering computational crystal structure prediction: towards in silico solid form screening multi-component pharmaceutical crystalline phases: engineering for performance complex formation of surfactants with aromatic compounds and their pharmaceutical applications hydrogen bonding and molecular packing in multi-functional crystal structures persistence of N-H...S hydrogen bonding in thiocarbamide structures crystal engineering with the molecules containing amide and pyridine functionalities urea/thiourea-anion host lattices, stabilization of labile species, and designed construction of rosette ribbon and layers Organic Crystal Engineering follows on from the successful Frontiers in Crystal Engineering (Wiley, 2005), providing a useful guide to this exciting new discipline for both entrants to the field as well as established practitioners, and for those working in crystallography, medicinal and pharmaceutical sciences, solid-state chemistry, and materials and nanotechnology. Zusammenfassung Organic Crystal Engineering provides reviews of topics in organic crystal engineering that will be of interest to all researchers in molecular solid-state chemistry. Inhaltsverzeichnis List of Contributors. Preface. 1 The Role of the Cambridge Structural Database in Crystal Engineering ( Andrew D. Bond ). 1.1 Introduction. 1.2 Organisation and Management of Crystallographic Information. 1.3 Organisation of Crystallographic Information for Crystal Engineering. 1.4 New Tools for Database Research. 1.5 Search for Functional Group Exchanges: GRX. 1.6 Search for Solvated and Unsolvated Structures: Solvates. 1.7 Clustering and Classifying CSD Search Results: dSNAP. 1.8 The PXRD Profile as a Structural Descriptor. 1.9 Identifying Supramolecular Constructs: XPac. 1.10 Concluding Remarks: the Future Role of Crystallographic Databases. References. 2 Computational Crystal Structure Prediction: Towards In Silico Solid Form Screening ( Graeme M. Day ). 2.1 Introduction. 2.2 Methods used to Predict Crystal Structures. 2.3 Current Capabilities of Crystal Structure Prediction. 2.4 Exploration of Crystal Forms. A Case Study: Carbamazepine. 2.5 Summary. Acknowledgments. References. 3 Multi-component Pharmaceutical Crystalline Phases: Engineering for Performance ( Matthew L. Peterson, Edwin A. Collier, Magali B. Hickey, Hector Guzman and Örn Almarsson ). 3.1 Introduction. 3.2 Exploring Crystal Form Diversity. 3.3 High-throughput Experimentation. 3.4 Examples of 'Form and Formulation'. 3.5 AMG517 and Celecoxib - 'Spring and Parachute' Approach. 3.6 Carbamazepine - Stabilization Against a Hydrate. 3.7 Theoph...
