Note: Intro -- Making Crystals by Design -- List of Contents -- Preface -- List of Contributors -- 1 Geometry and Energetics -- 1.1 Supramolecular Interactions: Energetic Considerations -- 1.1.1 Introduction -- 1.1.2 Enthalpy -- 1.1.2.1 The Quantistic Approach: Molecular Orbital (MO) Theory -- 1.1.2.2 The Quantistic Approach: Density Functional Theory (DFT) -- 1.1.2.3 The Quantistic Approach: the Crystal Orbital Method -- 1.1.2.4 The Classical Approach: Vibrational and Nonbonded ("Force Field") Energies -- 1.1.2.5 Semi-classical Approaches: the SCDS-Pixel Method -- 1.1.2.6 Supramolecular Energies -- 1.1.3 Entropy -- 1.1.3.1 Statistical and Classical Entropy -- 1.1.3.2 Lattice Dynamics [15] and Lattice Vibration Frequencies -- 1.1.3.3 Entropy and Dynamic Simulation -- 1.1.4 Free Energy -- 1.1.4.1 Complexation and Evaporation/Sublimation -- 1.1.4.2 Melting and Polymorphism -- 1.1.5 Tutorial Examples -- 1.1.5.1 Dimerization Energies, a Scale of Intermolecular Interactions -- 1.1.5.2 Calculation of Lattice Energies, Force Field Methods versus Pixel -- 1.1.5.3 Energy Partitioning by Pixel -- 1.1.5.4 Analysis of Crystal Structures -- 1.2 Understanding the Nature of the Intermolecular Interactions in Molecular Crystals. A Theoretical Perspective -- 1.2.1 Introduction -- 1.2.2 Intermolecular Interactions -- 1.2.2.1 Interactions and Bonds: When Do Intermolecular Interactions Become Bonds? -- 1.2.2.2 The Nature of the Intermolecular Interactions -- 1.2.2.3 Types of Intermolecular Interactions and Intermolecular Bonds Found in Molecular Crystals -- 1.2.2.4 Hydrogen Bonds -- 1.2.2.5 Existence of Intermolecular Bonds in Crystals -- 1.2.2.6 Intermolecular Bonds in Crystals -- 1.2.3 Summary -- 1.3 Networks, Topologies, and Entanglements -- 1.3.1 Introduction -- 1.3.2 Rationalization and Simplification of the Extended Structures. , 1.3.3 Topological Classification of Networks -- 1.3.3.1 Nomenclature for Single Nets: Schläfli and Vertex Symbols -- 1.3.3.2 Tiling Theory and Topological Approaches to Making Crystals -- 1.3.3.3 Self-catenated Networks -- 1.3.4 Entangled Systems -- 1.3.4.1 Types of Entanglements -- 1.3.4.2 Interpenetrating Networks -- 1.3.4.3 Polycatenated Networks -- 1.3.4.4 Borromean Networks -- 1.3.4.5 Other Entanglements -- 1.3.5 Conclusions -- 2 Design and Reactivity -- 2.1 Prediction of Reactivity in Solid-state Chemistry -- 2.1.1 Introduction -- 2.1.2 Topochemistry and Topotaxy -- 2.1.3 Far-reaching Molecular Migrations in Solid-state Reactions (AFM, GID, SNOM) and Experimental Solid-state Mechanism -- 2.1.4 Face Selectivity of Reactivity -- 2.1.5 Some of the Important Failures of Topochemistry and Their Remedy by the Experimental Mechanism -- 2.1.6 Molecular Migrations in the Absence of Severe Local Pressure -- 2.1.7 Multiple Cleavage Planes -- 2.1.8 Various Types of Cleavage Planes -- 2.1.9 Channels -- 2. 1.10 Closed Voids -- 2. 1.11 Interpretation of Some Recent Literature Data -- 2. 1.12 Applications in Addition to Solid-state Syntheses -- 2. 1.13 Conclusions and Outlook -- 2.2 Making Crystals by Reacting Crystals -- 2.2.1 Introduction -- 2.2.2 Thermal Solid-state Reactions -- 2.2.2.1 Crystal-Crystal Reactions -- 2.2.2.2 Reactions in Crystals -- 2.2.2.3 Solid-Solid Reactions in the Presence of Solvent Vapor -- 2.2.3 Making Inclusion Complex Crystals by Mixing or Grinding Host and Guest Crystals -- 2.2.3.1 Formation of Host-Guest Inclusion Complexes and Stereoselective Photochemical Reactions of the Guest in the Solid State -- 2.2.3.2 Enantioselective Inclusion Complexation in the Solid State -- 2.2.4 Making Crystals by Phase Transition -- 2.2.4.1 Phase Transition from Photochemically Nonreactive Inclusion Complexes to Reactive Ones. , 2.2.4.2 Phase Transition from Optically Active Complexes to Rac-Ones in Crystals -- 2.2.4.3 Phase Transition from the Rac-Inclusion Complex to the Conglomerate One -- 2.2.5 Control of Differential Inclusion Complexation by Seed Crystals -- 2.2.6 Conclusions -- 2.3 Making Crystals by Reactions in Crystals. Supramolecular Approaches to Crystal-to-Crystal Transformations within Molecular Co-Crystals -- 2.3.1 Introduction -- 2.3.2 Single-component Solids -- 2.3.2.1 [2+2] Photodimerizations -- 2.3.2.2 [2+2] Photopolymerizations -- 2.3.2.3 Diacetylene and Triacetylene Polymerizations -- 2.3.3 Co-crystals -- 2.3.3.1 [2+2] Photodimerization -- 2.3.4 SCSC Reactivity by Modifying Experimental Conditions -- 2.3.5 Conclusion -- 2.4 Making Coordination Frameworks -- 2.4.1 Introduction -- 2.4.2 Coordination Framework Design Criteria -- 2.4.3 Coordination Polymer Design Approaches -- 2.4.3.1 The Building-block Methodology -- 2.4.3.2 Complications: An Inclusive Building-block Methodology -- 2.4.3.3 Porosity and Interpenetration -- 2.4.4 Synthetic Considerations and Approaches -- 2.4.5 Structural Evaluation and Analysis -- 2.4.6 Structural Description -- 2.4.7 Conclusions -- 2.5 Assembly of Molecular Solids via Non-covalent Interactions -- 2.5.1 Introduction -- 2.5.1.1 How Do We Design, Engineer and Build a Molecular Crystal? -- 2.5.1.2 The Power of Covalent Synthesis -- 2.5.1.3 The Case for Supramolecular Chemistry -- 2.5.2 Directed Assembly of Homomeric Molecular Solids -- 2.5.2.1 Hydrogen-bond Interactions - Essential Tools for Constructing Molecular Solids -- 2.5.2.2 Hydrogen-bond-based Assemblies -- 2.5.2.3 Halogen-bond-based Assembly Strategies -- 2.5.3 Design and Synthesis of Co-crystals -- 2.5.3.1 Background -- 2.5.3.2 Developing Hydrogen-bond Design Strategies for Synthesis of Co-crystals -- 2.5.3.3 Examples of Binary Hydrogen-bonded Co-crystals. , 2.5.3.4 From Pattern Recognition to Practical Crystal Engineering -- 2.5.3.5 Synthesis of Co-crystals and the Supramolecular Yield -- 2.5.3.6 Heteromeric Interactions are Better than Homomeric Interactions -- 2.5.3.7 Do Polymorphic Compounds Make Good Co-crystallizing Agents [107]? -- 2.5.3.8 Beyond Binary Co-crystals: The Need for Supramolecular Reagents -- 2.5.3.9 Codicil -- 3 Characterizations and Applications -- 3.1 Diffraction Studies in Crystal Engineering -- 3.1.1 Introduction -- 3.1.2 Scope -- 3.1.3 Single Crystal X-ray Diffraction -- 3.1.3.1 Experimental Method -- 3.1.3.2 What Information Can Be Obtained and How Reliable Is It? -- 3.1.3.3 Limitations -- 3.1.4 Single crystal neutron diffraction -- 3.1.4.1 Experimental Method -- 3.1.4.2 What Information Can Be Obtained and How Reliable Is It? -- 3.1.5 Single Crystal Diffraction Studies at Low Temperatures -- 3.1.5.1 Hydrogen Bonds -- 3.1.5.2 Other Non-covalent Interactions -- 3.1.5.3 Other Applications -- 3.1.6 Single Crystal Diffraction Studies at Increased Pressures -- 3.1.6.1 Experimental Method and Applications -- 3.1.6.2 Intermolecular Interactions -- 3.1.6.3 Polymorphism -- 3.1.7 Powder Diffraction -- 3.1.7.1 Crystal Structure Determination -- 3.1.7.2 Crystal Structures of Organic Compounds -- 3.1.7.3 Crystal Structures and Reactions of Metal-Organic Compounds -- 3.1.8 Charge Density Studies -- 3.1.9 Conclusions -- 3.2 Solid State NMR -- 3.2.1 Introduction -- 3.2.2 The Fundamentals -- 3.2.2.1 Quadrupole Interaction -- 3.2.2.2 Dipolar Interaction -- 3.2.2.3 The Shielding Term (H(S)) or Chemical Shift Anisotropy (CSA) -- 3.2.2.4 Line Narrowing in the Solid State -- 3.2.2.5 Dipolar Decoupling -- 3.2.3 CPMAS -- 3.2.4 Advantages and Disadvantages of Solid State NMR Spectroscopy -- 3.2.5 Polymorphism -- 3.2.6 Resolution of Enantiomers by Solid State NMR -- 3.2.7 Distances Determined by SSNMR. , 3.2.8 Hydrogen Bond -- 3.3 Crystal Polymorphism: Challenges at the Crossroads of Science and Technology -- 3.3.1 Introduction -- 3.3.1.1 What Are Polymorphism and the Multiplicity of Crystal Forms? -- 3.3.1.2 Why Are Polymorphism and Multiple Crystal Forms Important? -- 3.2.2 How Do We Detect and Characterize Multiple Crystal Forms? -- 3.3.3 New Developments in Detecting and Characterizing Multiple Crystal Forms -- 3.3.4 Examples of Crystal Form Identification and Characterization -- 3.3.5 Practical Implications and Ramifications of Multiple Crystal Forms - Pharmaceuticals -- 3.3.6 Conclusions -- 3.4 Nanoporosity, Gas Storage, Gas Sensing -- 3.4.1 Introduction -- 3.4.2 Description of Porosity -- 3.4.3 Nanoporosity for Gas Adsorption -- 3.4.4 Brief Thermodynamic Description of the Gas Adsorption Phenomenon -- 3.4.5 Crystalline Organic and Metal-Organic Gas Adsorbents -- 3.4.6 Dawn of Metal-Organic Gas Adsorbents -- 3.4.7 Design of Porosity in Coordination Polymer Systems -- 3.4.8 Structural Description and Dimensionality of the Host Component -- 3.4.9 Transformation of a Single-crystal Gas Adsorbent during Gas Adsorption [13, 14] -- 3. 4.10 Abnormal Guest Diffusivity Within Pores -- 3. 4.11 Method for the Accurate Detection and Measurement of the Gas Adsorbed State -- 3. 4.12 Hydrogen Storage [21] -- 3. 4.13 Phase Transition of the Adsorbed Guest Sublattice in the Gas Inclusion Co-crystal State [23] -- 3. 4.14 Dynamic Change in Pore Topology by Design of Host Flexibility [24] -- 3. 4.15 Mass-induced Phase Transition [24] -- 3. 4.16 Sensing Gas by Porous Crystals -- 3. 4.17 Concluding Remarks -- Index.