LEADER 05835nam 2200781 a 450 001 9910792255003321 005 20210831195743.0 010 $a1-281-34127-4 010 $a0-19-154501-5 010 $a9786611341275 010 $a0-19-923656-9 035 $a(CKB)2560000000298371 035 $a(EBL)422857 035 $a(OCoLC)437109412 035 $a(SSID)ssj0000440976 035 $a(PQKBManifestationID)12127861 035 $a(PQKBTitleCode)TC0000440976 035 $a(PQKBWorkID)10492444 035 $a(PQKB)10049165 035 $a(SSID)ssj0000224339 035 $a(PQKBManifestationID)11195246 035 $a(PQKBTitleCode)TC0000224339 035 $a(PQKBWorkID)10209753 035 $a(PQKB)11197249 035 $a(StDuBDS)EDZ0000072517 035 $a(MiAaPQ)EBC422857 035 $a(Au-PeEL)EBL422857 035 $a(CaPaEBR)ebr10229907 035 $a(CaONFJC)MIL134127 035 $a(MiAaPQ)EBC7036027 035 $a(Au-PeEL)EBL7036027 035 $a(PPN)159207266 035 $a(EXLCZ)992560000000298371 100 $a20010829d2002 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aPolymorphism in molecular crystals$b[electronic resource] /$fJoel Bernstein 210 $aOxford $cClarendon Press ;$aNew York $cOxford University Press$d2002 215 $a1 online resource (429 p.) 225 1 $aInternational Union of Crystallography monographs on crystallography ;$v14 300 $aDescription based upon print version of record. 311 $a0-19-850605-8 311 $a0-19-170794-5 320 $aIncludes bibliographical references (p. [308]-399) and index. 327 $aContents; 1 Introduction and historical background; 1.1 Introduction; 1.2 Definitions; 1.2.1 Polymorphism; 1.2.2 Pseudopolymorphism, solvates, and hydrates; 1.2.3 Conventions for naming polymorphs; 1.3 Is this material polymorphic?; 1.3.1 Occurrence of polymorphism; 1.3.2 Literature sources of polymorphic compounds; 1.3.3 Polymorphic compounds in the Cambridge Structural Database; 1.3.4 Powder Diffraction File; 1.3.5 Patent literature; 1.3.6 Polymorphism of elements and inorganic compounds; 1.3.7 Polymorphism in macromolecular crystals; 1.4 Historical perspective 327 $a1.5 Commercial/industrial importance of polymorphism-some additional comments2 Fundamentals; 2.1 Introduction; 2.2 Thermodynamics of polymorphic molecular crystals; 2.2.1 The Phase Rule; 2.2.2 Thermodynamic relations in polymorphs; 2.2.3 Energy vs temperature diagrams-the Gibbs free energy; 2.2.4 Enantiotropism and monotropism; 2.2.5 Phase diagrams in terms of pressure and temperature; 2.2.6 Heat-of-transition rule; 2.2.7 Heat-of-fusion rule; 2.2.8 Entropy-of-fusion rule; 2.2.9 Heat-capacity rule; 2.2.10 Density rule; 2.2.11 Infrared rule 327 $a2.3 Kinetic factors determining the formation of polymorphic modifications2.4 Structural fundamentals; 2.4.1 Form vs habit; 2.4.2 Structural characterization and comparison of polymorphic systems; 2.4.3 Presentation of polymorphic structures for comparison; 3 Controlling the polymorphic form obtained; 3.1 General considerations; 3.2 Aggregation and nucleation; 3.3 Thermodynamic vs kinetic crystallization conditions; 3.4 Monotropism, enantiotropism, and crystallization strategy; 3.5 Concomitant polymorphs; 3.5.1 Crystallization methods and conditions 327 $a3.5.2 Examples of different classes of compounds3.5.3 The structural approach; 3.6 Disappearing polymorphs; 3.7 Control of polymorphic crystallization by design; 4 Analytical techniques for studying and characterizing polymorphs; 4.1 Introduction; 4.2 Optical/hot stage microscopy; 4.3 Thermal methods; 4.4 X-ray crystallography; 4.5 Infrared spectroscopy; 4.6 Raman spectroscopy; 4.7 Solid state nuclear magnetic resonance (SSNMR) spectroscopy; 4.8 Scanning electron microscopy; 4.9 Atomic force microscopy (AFM) and scanning tunnelling microscopy (STM); 4.10 Density measurements 327 $a4.11 New technologies and 'hyphenated techniques'4.12 Are two samples polymorphs of the same compound?; 4.13 Concluding remarks; 5 Conformational polymorphism: intra- and intermolecular energetics; 5.1 Introduction; 5.2 Molecular shape and energetics; 5.3 Intermolecular interactions and energetics; 5.4 The search for examples of conformational polymorphism; 5.5 Presenting and comparing conformational polymorphs; 5.6 Some examples of conformational polymorphism; 5.7 What are conformational polymorphs good for?; 5.8 Computational studies of the energetics of polymorphic systems 327 $a5.9 Some exemplary studies of conformational polymorphism 330 $aThis book deals with polymorphism - the existence of different solid structures of the same chemical entity (for example graphite and diamond, both composed of carbon) which provide ideal systems for investigating the relationship between the structure and properties of a wide variety of materials. - ;Polymorphism - the multiplicity of structures or forms - is a term that is used in many disciplines. In chemistry it refers to the existence of more than one crystal structure for a particular chemical substance. The properties of a substance are determined by its composition and by its structure 410 0$aInternational Union of Crystallography monographs on crystallography ;$v14. 606 $aPolymorphism (Crystallography) 606 $aMolecular crystals 615 0$aPolymorphism (Crystallography) 615 0$aMolecular crystals. 676 $a548/.3 700 $aBernstein$b Joel$f1941-2019.$01535482 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910792255003321 996 $aPolymorphism in molecular crystals$93783738 997 $aUNINA