Organic Crystal Engineering
Herausgeber: Tiekink, Edward R T; Zaworotko, Michael; Vittal, Jagadese
Organic Crystal Engineering
Herausgeber: Tiekink, Edward R T; Zaworotko, Michael; Vittal, Jagadese
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Organic Crystal Engineering provides reviews of topics in organic crystal engineering 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, cover topics including crystal structure prediction features, polymorphism, reactions in the solid-state, designing new arrays and delineating prominent intermolecular forces for important organic molecules.
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Organic Crystal Engineering provides reviews of topics in organic crystal engineering 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, cover topics including crystal structure prediction features, polymorphism, reactions in the solid-state, designing new arrays and delineating prominent intermolecular forces for important organic molecules.
Produktdetails
- Produktdetails
- Verlag: John Wiley & Sons / Wiley
- Seitenzahl: 336
- Erscheinungstermin: 8. März 2010
- Englisch
- Abmessung: 250mm x 175mm x 23mm
- Gewicht: 776g
- ISBN-13: 9780470319901
- ISBN-10: 0470319909
- Artikelnr.: 28163281
- Verlag: John Wiley & Sons / Wiley
- Seitenzahl: 336
- Erscheinungstermin: 8. März 2010
- Englisch
- Abmessung: 250mm x 175mm x 23mm
- Gewicht: 776g
- ISBN-13: 9780470319901
- ISBN-10: 0470319909
- Artikelnr.: 28163281
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.
Preface. List of Contributors. 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. 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. 2.6 Acknowledgments. References.
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
Theophylline:Phenobarbital - Two is Better Than One. 3.8 Delaviridine
Mesylate - Material Misbehavior. 3.9 Summary and Outlook. References.
Complex Formation of Surfactants with Aromatic Compounds and their
Pharmaceutical Applications (Yuji Ohashi, Keiju Sawada and Nahoko Iimura).
4.1 Introduction. 4.2 Structures of the Complexes Formed Between
Surfactants and Aromatic Compounds. 4.3 Complex Formation of Aromatic
Compounds Containing an Hetero Ring. 4.4 Complex Formation of Biphenyl with
Cationic Surfactants. 4.5 Complex Formation of Odd-Number Surfactants with
Biphenyl. 4.6 Common Packing Mode in the Complexes. 4.7 Complex Formation
by Grinding in a Mortar. 4.8 C-H...piinteractions. 4.9 Complex Formation of
Anionic Surfactants with Aromatic Compounds. 4.10 Increased Solubility of
Insoluble Drugs. 4.11 Enhanced Thermal Stability of Perfumes. 4.12 Complex
Formation with Surfactants other than Quaternary Alkylammonium Salts. 4.13
Hydroquinone Complexes. 4.14 Application to Whitening Agents. References.
Hydrogen Bonding and Molecular Packing in Multi-Functional Crystal
Structures (Ashwini Nangia). 5.1 Introduction. 5.2 Hydrogen Bonding in
Ureas and Amides. 5.3 Pyridyl Ureas and Amides. 5.4 Nitrophenyl Ureas and
Amides. 5.5 Molecular Conformation and Hydrogen Bonding. 5.6 Supramolecular
HSAB Interactions. 5.7 Gem-alkynols. 5.8 Conclusions. 5.9 Acknowledgments.
References. Persistence of N-H...S Hydrogen Bonding in Thiocarbamide
Structures (Edward R. T. Tiekink). 6.1 Introduction. 6.2 Supramolecular
Aggregation Patterns in the Thiocarbamides. 6.3 Conclusions. References.
Crystal Engineering with the Molecules Containing Amide and Pyridine
Functionalities (Kumar Biradha and Lalit Rajput). 7.1 Introduction. 7.2
Primary Amides Containing the Pyridine Moiety. 7.3 Co-crystals with Primary
Amidopyridines. 7.4 Secondary Amides Containing a Pyridine Moiety. 7.5
Bis-Amidopyridine Derivatives. 7.6 Two Component Structures Containing
Secondary Amides and Pyridine Derivatives. 7.7 Triamidopyridine
Derivatives. 7.8 Conclusions. 7.9 Acknowledgements. References.
Urea/Thiourea-Anion Host Lattices, Stabilization of Labile Species, and
Designed Construction of Rosette Ribbon and Layers (Thomas C. W. Mak,
Chi-Keung Lam and Jie Han). 8.1 Introduction. 8.2 Inclusion Compounds with
Urea/Thiourea-Anion Host Lattices. 8.3 Stabilization of Cyclic Oxocarbon
Dianions by Hydrogen Bonding with Urea/Thiourea. 8.4 Supramolecular
Assembly Based on the Rosette Motif. 8.5 Conclusion and Outlook. 8.6
Acknowledgment. References.
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. 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. 2.6 Acknowledgments. References.
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
Theophylline:Phenobarbital - Two is Better Than One. 3.8 Delaviridine
Mesylate - Material Misbehavior. 3.9 Summary and Outlook. References.
Complex Formation of Surfactants with Aromatic Compounds and their
Pharmaceutical Applications (Yuji Ohashi, Keiju Sawada and Nahoko Iimura).
4.1 Introduction. 4.2 Structures of the Complexes Formed Between
Surfactants and Aromatic Compounds. 4.3 Complex Formation of Aromatic
Compounds Containing an Hetero Ring. 4.4 Complex Formation of Biphenyl with
Cationic Surfactants. 4.5 Complex Formation of Odd-Number Surfactants with
Biphenyl. 4.6 Common Packing Mode in the Complexes. 4.7 Complex Formation
by Grinding in a Mortar. 4.8 C-H...piinteractions. 4.9 Complex Formation of
Anionic Surfactants with Aromatic Compounds. 4.10 Increased Solubility of
Insoluble Drugs. 4.11 Enhanced Thermal Stability of Perfumes. 4.12 Complex
Formation with Surfactants other than Quaternary Alkylammonium Salts. 4.13
Hydroquinone Complexes. 4.14 Application to Whitening Agents. References.
Hydrogen Bonding and Molecular Packing in Multi-Functional Crystal
Structures (Ashwini Nangia). 5.1 Introduction. 5.2 Hydrogen Bonding in
Ureas and Amides. 5.3 Pyridyl Ureas and Amides. 5.4 Nitrophenyl Ureas and
Amides. 5.5 Molecular Conformation and Hydrogen Bonding. 5.6 Supramolecular
HSAB Interactions. 5.7 Gem-alkynols. 5.8 Conclusions. 5.9 Acknowledgments.
References. Persistence of N-H...S Hydrogen Bonding in Thiocarbamide
Structures (Edward R. T. Tiekink). 6.1 Introduction. 6.2 Supramolecular
Aggregation Patterns in the Thiocarbamides. 6.3 Conclusions. References.
Crystal Engineering with the Molecules Containing Amide and Pyridine
Functionalities (Kumar Biradha and Lalit Rajput). 7.1 Introduction. 7.2
Primary Amides Containing the Pyridine Moiety. 7.3 Co-crystals with Primary
Amidopyridines. 7.4 Secondary Amides Containing a Pyridine Moiety. 7.5
Bis-Amidopyridine Derivatives. 7.6 Two Component Structures Containing
Secondary Amides and Pyridine Derivatives. 7.7 Triamidopyridine
Derivatives. 7.8 Conclusions. 7.9 Acknowledgements. References.
Urea/Thiourea-Anion Host Lattices, Stabilization of Labile Species, and
Designed Construction of Rosette Ribbon and Layers (Thomas C. W. Mak,
Chi-Keung Lam and Jie Han). 8.1 Introduction. 8.2 Inclusion Compounds with
Urea/Thiourea-Anion Host Lattices. 8.3 Stabilization of Cyclic Oxocarbon
Dianions by Hydrogen Bonding with Urea/Thiourea. 8.4 Supramolecular
Assembly Based on the Rosette Motif. 8.5 Conclusion and Outlook. 8.6
Acknowledgment. References.
Preface. List of Contributors. 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. 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. 2.6 Acknowledgments. References.
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
Theophylline:Phenobarbital - Two is Better Than One. 3.8 Delaviridine
Mesylate - Material Misbehavior. 3.9 Summary and Outlook. References.
Complex Formation of Surfactants with Aromatic Compounds and their
Pharmaceutical Applications (Yuji Ohashi, Keiju Sawada and Nahoko Iimura).
4.1 Introduction. 4.2 Structures of the Complexes Formed Between
Surfactants and Aromatic Compounds. 4.3 Complex Formation of Aromatic
Compounds Containing an Hetero Ring. 4.4 Complex Formation of Biphenyl with
Cationic Surfactants. 4.5 Complex Formation of Odd-Number Surfactants with
Biphenyl. 4.6 Common Packing Mode in the Complexes. 4.7 Complex Formation
by Grinding in a Mortar. 4.8 C-H...piinteractions. 4.9 Complex Formation of
Anionic Surfactants with Aromatic Compounds. 4.10 Increased Solubility of
Insoluble Drugs. 4.11 Enhanced Thermal Stability of Perfumes. 4.12 Complex
Formation with Surfactants other than Quaternary Alkylammonium Salts. 4.13
Hydroquinone Complexes. 4.14 Application to Whitening Agents. References.
Hydrogen Bonding and Molecular Packing in Multi-Functional Crystal
Structures (Ashwini Nangia). 5.1 Introduction. 5.2 Hydrogen Bonding in
Ureas and Amides. 5.3 Pyridyl Ureas and Amides. 5.4 Nitrophenyl Ureas and
Amides. 5.5 Molecular Conformation and Hydrogen Bonding. 5.6 Supramolecular
HSAB Interactions. 5.7 Gem-alkynols. 5.8 Conclusions. 5.9 Acknowledgments.
References. Persistence of N-H...S Hydrogen Bonding in Thiocarbamide
Structures (Edward R. T. Tiekink). 6.1 Introduction. 6.2 Supramolecular
Aggregation Patterns in the Thiocarbamides. 6.3 Conclusions. References.
Crystal Engineering with the Molecules Containing Amide and Pyridine
Functionalities (Kumar Biradha and Lalit Rajput). 7.1 Introduction. 7.2
Primary Amides Containing the Pyridine Moiety. 7.3 Co-crystals with Primary
Amidopyridines. 7.4 Secondary Amides Containing a Pyridine Moiety. 7.5
Bis-Amidopyridine Derivatives. 7.6 Two Component Structures Containing
Secondary Amides and Pyridine Derivatives. 7.7 Triamidopyridine
Derivatives. 7.8 Conclusions. 7.9 Acknowledgements. References.
Urea/Thiourea-Anion Host Lattices, Stabilization of Labile Species, and
Designed Construction of Rosette Ribbon and Layers (Thomas C. W. Mak,
Chi-Keung Lam and Jie Han). 8.1 Introduction. 8.2 Inclusion Compounds with
Urea/Thiourea-Anion Host Lattices. 8.3 Stabilization of Cyclic Oxocarbon
Dianions by Hydrogen Bonding with Urea/Thiourea. 8.4 Supramolecular
Assembly Based on the Rosette Motif. 8.5 Conclusion and Outlook. 8.6
Acknowledgment. References.
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. 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. 2.6 Acknowledgments. References.
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
Theophylline:Phenobarbital - Two is Better Than One. 3.8 Delaviridine
Mesylate - Material Misbehavior. 3.9 Summary and Outlook. References.
Complex Formation of Surfactants with Aromatic Compounds and their
Pharmaceutical Applications (Yuji Ohashi, Keiju Sawada and Nahoko Iimura).
4.1 Introduction. 4.2 Structures of the Complexes Formed Between
Surfactants and Aromatic Compounds. 4.3 Complex Formation of Aromatic
Compounds Containing an Hetero Ring. 4.4 Complex Formation of Biphenyl with
Cationic Surfactants. 4.5 Complex Formation of Odd-Number Surfactants with
Biphenyl. 4.6 Common Packing Mode in the Complexes. 4.7 Complex Formation
by Grinding in a Mortar. 4.8 C-H...piinteractions. 4.9 Complex Formation of
Anionic Surfactants with Aromatic Compounds. 4.10 Increased Solubility of
Insoluble Drugs. 4.11 Enhanced Thermal Stability of Perfumes. 4.12 Complex
Formation with Surfactants other than Quaternary Alkylammonium Salts. 4.13
Hydroquinone Complexes. 4.14 Application to Whitening Agents. References.
Hydrogen Bonding and Molecular Packing in Multi-Functional Crystal
Structures (Ashwini Nangia). 5.1 Introduction. 5.2 Hydrogen Bonding in
Ureas and Amides. 5.3 Pyridyl Ureas and Amides. 5.4 Nitrophenyl Ureas and
Amides. 5.5 Molecular Conformation and Hydrogen Bonding. 5.6 Supramolecular
HSAB Interactions. 5.7 Gem-alkynols. 5.8 Conclusions. 5.9 Acknowledgments.
References. Persistence of N-H...S Hydrogen Bonding in Thiocarbamide
Structures (Edward R. T. Tiekink). 6.1 Introduction. 6.2 Supramolecular
Aggregation Patterns in the Thiocarbamides. 6.3 Conclusions. References.
Crystal Engineering with the Molecules Containing Amide and Pyridine
Functionalities (Kumar Biradha and Lalit Rajput). 7.1 Introduction. 7.2
Primary Amides Containing the Pyridine Moiety. 7.3 Co-crystals with Primary
Amidopyridines. 7.4 Secondary Amides Containing a Pyridine Moiety. 7.5
Bis-Amidopyridine Derivatives. 7.6 Two Component Structures Containing
Secondary Amides and Pyridine Derivatives. 7.7 Triamidopyridine
Derivatives. 7.8 Conclusions. 7.9 Acknowledgements. References.
Urea/Thiourea-Anion Host Lattices, Stabilization of Labile Species, and
Designed Construction of Rosette Ribbon and Layers (Thomas C. W. Mak,
Chi-Keung Lam and Jie Han). 8.1 Introduction. 8.2 Inclusion Compounds with
Urea/Thiourea-Anion Host Lattices. 8.3 Stabilization of Cyclic Oxocarbon
Dianions by Hydrogen Bonding with Urea/Thiourea. 8.4 Supramolecular
Assembly Based on the Rosette Motif. 8.5 Conclusion and Outlook. 8.6
Acknowledgment. References.