UID:
almahu_9948197415802882
Umfang:
1 online resource
ISBN:
9780470681794
,
0470681799
,
1282483080
,
9781282483088
,
0470319909
,
9780470319901
Anmerkung:
Cover -- Contents -- List of Contributors -- Preface -- 1. The Role of the Cambridge Structural Database in Crystal Engineering -- 1.1 Introduction -- 1.2 Organisation and Management of Crystallographic Information -- 1.2.1 Validation of New Crystal Structures: Mogul -- 1.2.2 Validation of Structural Discoveries: What is New and What is Not? -- 1.3 Organisation of Crystallographic Information for Crystal Engineering -- 1.3.1 IsoStar -- 1.3.2 CSDContact -- 1.3.3 CSDSymmetry -- 1.4 New Tools for Database Research -- 1.4.1 A General Tool for 3-D Searches of the CSD: 3DSEARCH -- 1.4.2 Ad hoc Software -- 1.5 Search for Functional Group Exchanges: GRX -- 1.6 Search for Solvated and Unsolvated Structures: Solvates -- 1.6.1 Tools to Examine Structural Similarity -- 1.7 Clustering and Classifying CSD Search Results: dSNAP -- 1.8 The PXRD Profile as a Structural Descriptor -- 1.8.1 IsoQuest -- 1.8.2 Self-organising maps -- 1.8.3 Discrimination of polymorphs and redeterminations -- 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 -- 2.1 Introduction -- 2.2 Methods used to Predict Crystal Structures -- 2.2.1 Search Methods -- 2.2.2 Evaluating the Computer-generated Crystal Structures -- 2.3 Current Capabilities of Crystal Structure Prediction -- 2.3.1 The Blind Tests -- 2.3.2 Further Assessments of Crystal Structure Prediction -- 2.3.3 Flexible Molecules -- 2.4 Exploration of Crystal Forms. A Case Study: Carbamazepine -- 2.4.1 Polymorphism and the Influence of Small Molecular Changes on Packing -- 2.4.2 Solvate and Co-crystal Formation -- 2.4.3 Computational Solid Form Screening? -- 2.5 Summary -- Acknowledgements -- References -- 3. Multi-component Pharmaceutical Crystalline Phases: Engineering for Performance -- 3.1 Introduction -- 3.2 Exploring Crystal Form Diversity -- 3.3 High-throughput Experimentation -- 3.4 Examples of 8216;Form and Formulation8217; -- 3.4.1 Indinavir sulfate ethanolate a case of a salt hydrate/solvate -- 3.4.2 Norfloxacin polymorphs, solvates, salts, complexes and co-crystals -- 3.5 AMG517 and Celecoxib 8216;Spring and Parachute8217; Approach -- 3.5.1 946;-Lactam antibiotics and hydrates the importance of crystallinity -- 3.6 Carbamazepine Stabilization Against a Hydrate -- 3.7 Theophylline:Phenobarbital Two is Better Than One -- 3.8 Delaviridine Mesylate Material Misbehaviour -- 3.9 Summary and Outlook -- References -- 4. Complex Formation of Surfactants with Aromatic Compounds and their Pharmaceutical Applications -- 4.1 Introduction -- 4.2 Structures of the Complexes Formed Between Surfactants and Aromatic Compounds -- 4.2.1 Crystal structure of I (CTABp-hydroxybenzoic acid) -- 4.2.2 Crystal structure of II (CTABm-cyanophenol) -- 4.2.3 Crystal structure of III (CTABp-cresol) -- 4.2.4 Crystal structure of IV (CTABhydroquinone) -- 4.2.5 Crystal structure of V (CTABo-iodophenol) -- 4.2.6 Crystal structure of VI (MTABo-iodophenol) -- 4.2.7 Crystal structures of VII (LTABo-iodophenol) and VIII (DTABo-iodophenol) -- 4.2.8 Crystal structure of IX (DTABp-hydroxybenzoic acid) -- 4.3 Complex Formation of Aromatic Compounds Containing an Hetero Ring -- 4.3.1 Cryst.
Weitere Ausg.:
Print version: Organic crystal engineering. Hoboken, N.J. : Wiley, 2010 ISBN 9780470319901
Weitere Ausg.:
ISBN 0470319909
Sprache:
Englisch
Schlagwort(e):
Electronic books.
;
Electronic books.
;
Electronic books.
DOI:
10.1002/9780470681794
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/9780470681794
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/9780470681794
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/9780470681794
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