Frontiers in crystal engineering [[electronic resource] /] / edited by Edward R.T. Tiekink, Jagadese J. Vittal |
Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : Wiley, c2006 |
Descrizione fisica | 1 online resource (347 p.) |
Disciplina |
548
548.81 |
Altri autori (Persone) |
TiekinkEdward R. T
VittalJagadese J |
Soggetto topico | Molecular crystals - Research |
Soggetto genere / forma | Electronic books. |
ISBN |
1-280-44877-6
9786610448777 0-470-02261-2 0-470-02259-0 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto |
Frontiers in Crystal Engineering; Contents; List of Contributors; Foreword; 1 Applications of Crystal Engineering Strategies in Solvent-free Reactions: Toward a Supramolecular Green Chemistry; 1 Introduction; 1.1 Making Crystals by Smashing Crystals?; 1.2 Milling, Grinding, Kneading and Seeding; 2 Mechanochemical Preparation of Hydrogen-Bonded Adducts; 3 Mechanically Induced Formation of Covalent Bonds; 3.1 Mechanochemical Preparation of Coordination Networks; 4 The Solvent-free Chemistry of the Zwitterion [CoIII(η5-C5H4COOH)(η5-C5H4COO)]; 5 Concluding Remarks; 6 Acknowledgments; References
2 Crystal Engineering of Pharmaceutical Co-crystals1 Introduction; 1.1 What Are Co-crystals?; 1.2 How Are Co-crystals Prepared?; 1.3 Why Are Co-crystals of Relevance in the Context of APIs?; 2 What Is the Origin of Polymorphism and Is It Prevalent in Co-crystals?; 3 What Is a Pharmaceutical Co-crystal?; 3.1 A Case Study: Pharmaceutical Co-crystals of Carbamazepine, 1 (CBZ, 1); 3.2 But Beware of "Fake" Pharmaceutical Co-crystals!; 4 Conclusions; 5 Acknowledgments; References; 3 Template-controlled Solid-state Synthesis: Toward a General Form of Covalent Capture in Molecular Solids 1 Introduction1.1 Target-oriented Organic Synthesis; 1.2 Target-oriented Organic Synthesis and Covalent Capture; 1.3 Overview; 2 Controlling Reactivity Using Linear Templates; 3 Template-controlled Solid-state Reactivity; 3.1 Template-controlled Reactivity in the Solid state; 3.2 Resorcinol as a Linear Template; 3.3 Modularity and Generality; 4 Target-oriented Organic Synthesis in the Solid State; 4.1 [2.2]-Paracyclophane; 4.2 Template Switching; 4.3 Ladderanes; 5 Other Linear Templates; 5.1 1,8-Naphthalenedicarboxylic Acid; 5.2 Bis-p-phenylene[34]-crown[10] 5.3 Carballylic and 1,2,4,5-Benzenetetracarboxylic Acids5.4 Tetrakis(4-iodoperfluorophenyl)erythritol; 6 Summary and Outlook; References; 4 Interplay of Non-covalent Bonds: Effect of Crystal Structure on Molecular Structure; 1 Introduction; 2 Second-Sphere Coordination; 3 Soft Coordination Environments; 3.1 Mercury and Tin; 3.2 Comparison with Calculation; 3.3 Influence of Disorder; 4 Speciation; 5 Molecular Conformation; 6 Conclusions; References; 5 Crystal Engineering of Halogenated Heteroaromatic Clathrate Systems; 1 Introduction; 1.1 Clathrates; 1.2 New Clathrand Inclusion Hosts 1.3 Halogenated Heteroaromatic Hosts2 Aromatic Edge-Edge C-H· · ·N Dimers; 3 Heteroatom-1,3-Peri Interactions; 3.1 The Ether-1,3-Peri Aromatic Hydrogen Interaction; 3.2 The Thioether-and Aza-1,3-Peri Aromatic Hydrogen Interactions; 4 Molecular Pen Structures; 5 Halogenated Edge-Edge Interactions; 6 Pi-Halogen Dimer (PHD) Interactions; 6.1 A New Aromatic Building Block; 6.2 Staircase Inclusion Compounds; 6.3 Layer Inclusion Compounds; 7 Molecular Bricks, Spheres and Grids; 7.1 Bricks and Mortar Inclusion Systems; 7.2 Molecular Spheres of Variable Composition; 7.3 Interlocking Molecular Grids 8 Conclusions |
Record Nr. | UNINA-9910143744803321 |
Chichester, England ; ; Hoboken, NJ, : Wiley, c2006 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
|
Frontiers in crystal engineering [[electronic resource] /] / edited by Edward R.T. Tiekink, Jagadese J. Vittal |
Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : Wiley, c2006 |
Descrizione fisica | 1 online resource (347 p.) |
Disciplina |
548
548.81 |
Altri autori (Persone) |
TiekinkEdward R. T
VittalJagadese J |
Soggetto topico | Molecular crystals - Research |
ISBN |
1-280-44877-6
9786610448777 0-470-02261-2 0-470-02259-0 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto |
Frontiers in Crystal Engineering; Contents; List of Contributors; Foreword; 1 Applications of Crystal Engineering Strategies in Solvent-free Reactions: Toward a Supramolecular Green Chemistry; 1 Introduction; 1.1 Making Crystals by Smashing Crystals?; 1.2 Milling, Grinding, Kneading and Seeding; 2 Mechanochemical Preparation of Hydrogen-Bonded Adducts; 3 Mechanically Induced Formation of Covalent Bonds; 3.1 Mechanochemical Preparation of Coordination Networks; 4 The Solvent-free Chemistry of the Zwitterion [CoIII(η5-C5H4COOH)(η5-C5H4COO)]; 5 Concluding Remarks; 6 Acknowledgments; References
2 Crystal Engineering of Pharmaceutical Co-crystals1 Introduction; 1.1 What Are Co-crystals?; 1.2 How Are Co-crystals Prepared?; 1.3 Why Are Co-crystals of Relevance in the Context of APIs?; 2 What Is the Origin of Polymorphism and Is It Prevalent in Co-crystals?; 3 What Is a Pharmaceutical Co-crystal?; 3.1 A Case Study: Pharmaceutical Co-crystals of Carbamazepine, 1 (CBZ, 1); 3.2 But Beware of "Fake" Pharmaceutical Co-crystals!; 4 Conclusions; 5 Acknowledgments; References; 3 Template-controlled Solid-state Synthesis: Toward a General Form of Covalent Capture in Molecular Solids 1 Introduction1.1 Target-oriented Organic Synthesis; 1.2 Target-oriented Organic Synthesis and Covalent Capture; 1.3 Overview; 2 Controlling Reactivity Using Linear Templates; 3 Template-controlled Solid-state Reactivity; 3.1 Template-controlled Reactivity in the Solid state; 3.2 Resorcinol as a Linear Template; 3.3 Modularity and Generality; 4 Target-oriented Organic Synthesis in the Solid State; 4.1 [2.2]-Paracyclophane; 4.2 Template Switching; 4.3 Ladderanes; 5 Other Linear Templates; 5.1 1,8-Naphthalenedicarboxylic Acid; 5.2 Bis-p-phenylene[34]-crown[10] 5.3 Carballylic and 1,2,4,5-Benzenetetracarboxylic Acids5.4 Tetrakis(4-iodoperfluorophenyl)erythritol; 6 Summary and Outlook; References; 4 Interplay of Non-covalent Bonds: Effect of Crystal Structure on Molecular Structure; 1 Introduction; 2 Second-Sphere Coordination; 3 Soft Coordination Environments; 3.1 Mercury and Tin; 3.2 Comparison with Calculation; 3.3 Influence of Disorder; 4 Speciation; 5 Molecular Conformation; 6 Conclusions; References; 5 Crystal Engineering of Halogenated Heteroaromatic Clathrate Systems; 1 Introduction; 1.1 Clathrates; 1.2 New Clathrand Inclusion Hosts 1.3 Halogenated Heteroaromatic Hosts2 Aromatic Edge-Edge C-H· · ·N Dimers; 3 Heteroatom-1,3-Peri Interactions; 3.1 The Ether-1,3-Peri Aromatic Hydrogen Interaction; 3.2 The Thioether-and Aza-1,3-Peri Aromatic Hydrogen Interactions; 4 Molecular Pen Structures; 5 Halogenated Edge-Edge Interactions; 6 Pi-Halogen Dimer (PHD) Interactions; 6.1 A New Aromatic Building Block; 6.2 Staircase Inclusion Compounds; 6.3 Layer Inclusion Compounds; 7 Molecular Bricks, Spheres and Grids; 7.1 Bricks and Mortar Inclusion Systems; 7.2 Molecular Spheres of Variable Composition; 7.3 Interlocking Molecular Grids 8 Conclusions |
Record Nr. | UNINA-9910830171803321 |
Chichester, England ; ; Hoboken, NJ, : Wiley, c2006 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
|
Frontiers in crystal engineering [[electronic resource] /] / edited by Edward R.T. Tiekink, Jagadese J. Vittal |
Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : Wiley, c2006 |
Descrizione fisica | 1 online resource (347 p.) |
Disciplina |
548
548.81 |
Altri autori (Persone) |
TiekinkEdward R. T
VittalJagadese J |
Soggetto topico | Molecular crystals - Research |
ISBN |
1-280-44877-6
9786610448777 0-470-02261-2 0-470-02259-0 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto |
Frontiers in Crystal Engineering; Contents; List of Contributors; Foreword; 1 Applications of Crystal Engineering Strategies in Solvent-free Reactions: Toward a Supramolecular Green Chemistry; 1 Introduction; 1.1 Making Crystals by Smashing Crystals?; 1.2 Milling, Grinding, Kneading and Seeding; 2 Mechanochemical Preparation of Hydrogen-Bonded Adducts; 3 Mechanically Induced Formation of Covalent Bonds; 3.1 Mechanochemical Preparation of Coordination Networks; 4 The Solvent-free Chemistry of the Zwitterion [CoIII(η5-C5H4COOH)(η5-C5H4COO)]; 5 Concluding Remarks; 6 Acknowledgments; References
2 Crystal Engineering of Pharmaceutical Co-crystals1 Introduction; 1.1 What Are Co-crystals?; 1.2 How Are Co-crystals Prepared?; 1.3 Why Are Co-crystals of Relevance in the Context of APIs?; 2 What Is the Origin of Polymorphism and Is It Prevalent in Co-crystals?; 3 What Is a Pharmaceutical Co-crystal?; 3.1 A Case Study: Pharmaceutical Co-crystals of Carbamazepine, 1 (CBZ, 1); 3.2 But Beware of "Fake" Pharmaceutical Co-crystals!; 4 Conclusions; 5 Acknowledgments; References; 3 Template-controlled Solid-state Synthesis: Toward a General Form of Covalent Capture in Molecular Solids 1 Introduction1.1 Target-oriented Organic Synthesis; 1.2 Target-oriented Organic Synthesis and Covalent Capture; 1.3 Overview; 2 Controlling Reactivity Using Linear Templates; 3 Template-controlled Solid-state Reactivity; 3.1 Template-controlled Reactivity in the Solid state; 3.2 Resorcinol as a Linear Template; 3.3 Modularity and Generality; 4 Target-oriented Organic Synthesis in the Solid State; 4.1 [2.2]-Paracyclophane; 4.2 Template Switching; 4.3 Ladderanes; 5 Other Linear Templates; 5.1 1,8-Naphthalenedicarboxylic Acid; 5.2 Bis-p-phenylene[34]-crown[10] 5.3 Carballylic and 1,2,4,5-Benzenetetracarboxylic Acids5.4 Tetrakis(4-iodoperfluorophenyl)erythritol; 6 Summary and Outlook; References; 4 Interplay of Non-covalent Bonds: Effect of Crystal Structure on Molecular Structure; 1 Introduction; 2 Second-Sphere Coordination; 3 Soft Coordination Environments; 3.1 Mercury and Tin; 3.2 Comparison with Calculation; 3.3 Influence of Disorder; 4 Speciation; 5 Molecular Conformation; 6 Conclusions; References; 5 Crystal Engineering of Halogenated Heteroaromatic Clathrate Systems; 1 Introduction; 1.1 Clathrates; 1.2 New Clathrand Inclusion Hosts 1.3 Halogenated Heteroaromatic Hosts2 Aromatic Edge-Edge C-H· · ·N Dimers; 3 Heteroatom-1,3-Peri Interactions; 3.1 The Ether-1,3-Peri Aromatic Hydrogen Interaction; 3.2 The Thioether-and Aza-1,3-Peri Aromatic Hydrogen Interactions; 4 Molecular Pen Structures; 5 Halogenated Edge-Edge Interactions; 6 Pi-Halogen Dimer (PHD) Interactions; 6.1 A New Aromatic Building Block; 6.2 Staircase Inclusion Compounds; 6.3 Layer Inclusion Compounds; 7 Molecular Bricks, Spheres and Grids; 7.1 Bricks and Mortar Inclusion Systems; 7.2 Molecular Spheres of Variable Composition; 7.3 Interlocking Molecular Grids 8 Conclusions |
Record Nr. | UNINA-9910841781003321 |
Chichester, England ; ; Hoboken, NJ, : Wiley, c2006 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
|
Organic crystal engineering [[electronic resource] ] : frontiers in crystal engineering / / editors, Edward Tiekink, Jagadese Vittal, Michael Zaworotko |
Pubbl/distr/stampa | Hoboken, NJ, : Wiley, 2010 |
Descrizione fisica | 1 online resource (345 p.) |
Disciplina |
547
548 |
Altri autori (Persone) |
TiekinkEdward R. T
VittalJagadese J ZaworotkoMichael |
Soggetto topico |
Molecular crystals - Research
Organic solid state chemistry Crystal growth |
ISBN |
1-282-48308-0
9786612483080 0-470-68179-9 0-470-68180-2 |
Formato | Materiale a stampa |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto |
Organic Crystal Engineering; 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: GRX1.6 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 Structures2.2.1 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 Performance3.1 Introduction; 3.2 Exploring Crystal Form Diversity; 3.3 High-throughput Experimentation; 3.4 Examples of 'Form and Formulation'; 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 - 'Spring and Parachute' Approach; 3.5.1 β-Lactam antibiotics and hydrates - the importance of crystallinity; 3.6 Carbamazepine - Stabilization Against a Hydrate 3.7 Theophylline:Phenobarbital - Two is Better Than One3.8 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 (CTAB-p-hydroxybenzoic acid); 4.2.2 Crystal structure of II (CTAB-m-cyanophenol); 4.2.3 Crystal structure of III (CTAB-p-cresol); 4.2.4 Crystal structure of IV (CTAB-hydroquinone) 4.2.5 Crystal structure of V (CTAB-o-iodophenol) |
Record Nr. | UNINA-9910139502803321 |
Hoboken, NJ, : Wiley, 2010 | ||
Materiale a stampa | ||
Lo trovi qui: Univ. Federico II | ||
|