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Pharmaceutical Crystallography: A Guide to Structure and Analysis [Hardback]

(University of Cambridge, UK)
  • Formāts: Hardback, 304 pages, height x width x depth: 234x156x20 mm, weight: 613 g, 120 Line drawings, black and white
  • Izdošanas datums: 24-Jul-2019
  • Izdevniecība: Royal Society of Chemistry
  • ISBN-10: 1782629661
  • ISBN-13: 9781782629665
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  • Hardback
  • Cena: 61,22 €
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  • Formāts: Hardback, 304 pages, height x width x depth: 234x156x20 mm, weight: 613 g, 120 Line drawings, black and white
  • Izdošanas datums: 24-Jul-2019
  • Izdevniecība: Royal Society of Chemistry
  • ISBN-10: 1782629661
  • ISBN-13: 9781782629665
Citas grāmatas par šo tēmu:
Taking an intuitive and informal approach to solid-state structure and crystallographic concepts, this book is written for anyone who needs a clear understanding of modern crystallography

The pharmaceutical industry has become acutely aware of the importance of the solid state, but pharmaceutical scientists often lack specific training in topics related to solid-state structure and crystallography. This book provides needed support in this topical area.
Taking an intuitive and informal approach to solid-state structure and crystallographic concepts, this book is written for anyone who needs a clear understanding of modern crystallography, with specific reference to small-molecule pharmaceutical solids. The author describes molecular crystals and crystal structures, symmetry, space groups, single-crystal and powder X-ray diffraction techniques and the analysis and interpretation of crystallographic data. Useful technical details are presented where necessary and case studies from the pharmaceutical literature put theory into a practical context.

Written by an internationally leading figure, this book is suitable for undergraduate and graduate students, as well as practitioners in the solid-state pharmaceutical sciences.



Written with pharmaceutical scientists in mind, this book explains crystallographic techniques in a language accessible to those without a traditional chemistry background. Explaining theory in a descriptive, rather than mathematical manner, with case studies and examples relevant to those working in the pharmaceutical arena, this book offers an unintimidating and intuitive guide.

The pharmaceutical industry has become acutely aware of the importance of the solid state, but pharmaceutical scientists often lack specific training in topics related to solid-state structure and crystallography. This book provides needed support in this topical area.
Taking an intuitive and informal approach to solid-state structure and crystallographic concepts, this book is written for anyone who needs a clear understanding of modern crystallography, with specific reference to small-molecule pharmaceutical solids. The author describes molecular crystals and crystal structures, symmetry, space groups, single-crystal and powder X-ray diffraction techniques and the analysis and interpretation of crystallographic data. Useful technical details are presented where necessary and case studies from the pharmaceutical literature put theory into a practical context. 
Written by an internationally leading figure, this book is suitable for undergraduate and graduate students, as well as practitioners in the solid-state pharmaceutical sciences.
1 Pharmaceutical Solids 1(15)
1.1 Introduction
1(1)
1.2 Classifying Pharmaceutical Solids: An Overview
2(2)
1.3 Structural Classification: Crystalline and Amorphous Solids
4(4)
1.4 Chemical Classification: Single- and Multi-component Solids
8(3)
1.5 Classifying Pharmaceutical Solids: More Details
11(4)
1.6 Summary of Key Points
15(1)
References
15(1)
2 What Defines a Crystal? 16(12)
2.1 Introduction
16(1)
2.2 Lattices
17(3)
2.3 Unit Cells
20(3)
2.4 Fractional Coordinates
23(1)
2.5 Metric Properties
24(1)
2.6 Summary of Key Points
24(1)
2.7 Case Study: Mefenamic Acid
25(2)
Note
27(1)
References
27(1)
3 Symmetry in Crystals 28(20)
3.1 Introduction
28(1)
3.2 Point Symmetry Operations
29(9)
3.3 Point Symmetry in Crystals
38(2)
3.4 Space Symmetry Operations
40(3)
3.5 Summary of Key Points
43(1)
3.6 Case Study: Formoterol Fumarate Dihydrate
44(3)
Reference
47(1)
4 Space Groups 48(20)
4.1 Introduction
48(1)
4.2 General Concepts of Space Groups
49(5)
4.3 Crystal Systems
54(2)
4.4 Centred Unit Cells
56(5)
4.5 Space Group Symbols
61(1)
4.6 Other Classifications of Space Groups
62(1)
4.7 Summary of Key Points
63(1)
4.8 Case Study: The Monoclinic Form of Paracetamol (Acetaminophen)
64(3)
References
67(1)
5 Planes and Crystal Morphology 68(14)
5.1 Introduction
68(1)
5.2 Defining Planes in Crystals
69(5)
5.3 Crystal Planes and Crystal Faces
74(4)
5.4 Summary of Key Points
78(1)
5.5 Case Study: BFDH Morphology of Famotidine Form A
78(3)
Reference
81(1)
6 Crystal Structures and Diffraction Patterns 82(25)
6.1 Introduction
82(1)
6.2 X-ray Diffraction
83(1)
6.3 The Geometry of Diffraction from a Single Crystal
83(10)
6.4 The Intensities of Diffraction from a Single Crystal
93(8)
6.5 A Review
101(1)
6.6 Summary of Key Points
102(1)
6.7 Case Study: Ropivacaine Hydrochloride Form 2
103(3)
Reference
106(1)
7 Symmetry in Diffraction Patterns 107(18)
7.1 Introduction
107(1)
7.2 Symmetry in Diffraction Patterns
108(8)
7.3 Centrosymmetric and Non-centrosymmetric Structures
116(6)
7.4 Summary of Key Points
122(1)
7.5 Case Study: Ropivacaine Hydrochloride Form 2 (Continued)
123(2)
8 Single-crystal X-ray Diffraction (Part 1) 125(24)
8.1 Introduction
125(1)
8.2 Overview of a Single-crystal X-ray Diffractometer
126(5)
8.3 Setting Up the Analysis
131(4)
8.4 Measuring the Geometry of Diffraction
135(8)
8.5 Measuring Crystal Morphology
143(1)
8.6 Summary of Key Points
144(1)
8.7 Case Study: Aspirin Form I
145(3)
References
148(1)
9 Single-crystal X-ray Diffraction (Part 2) 149(19)
9.1 Introduction
149(1)
9.2 Measuring the Diffracted Intensities
150(10)
9.3 Measure First, Analyse Later
160(1)
9.4 What's the Outcome of a Single-crystal Data Collection?
161(2)
9.5 Summary of Key Points
163(2)
9.6 Case Study: Aspirin Form I (Continued)
165(3)
10 Powder X-ray Diffraction 168(26)
10.1 Introduction
168(1)
10.2 Relating Powder Diffraction to Single-crystal Diffraction
169(6)
10.3 Powder X-ray Diffraction Measurements
175(9)
10.4 The Sample
184(1)
10.5 Extracting Information from a PXRD Pattern
185(4)
10.6 Summary of Key Points
189(1)
10.7 Case Study: Celecoxib
190(3)
References
193(1)
11 Solving X-ray Crystal Structures 194(20)
11.1 Introduction
194(1)
11.2 Building the Electron Density From the Structure Factors
195(7)
11.3 The Phase Problem
202(4)
11.4 Structure Solution in Practice
206(1)
11.5 Developing the Structure Model
207(2)
11.6 Summary of Key Points
209(2)
11.7 Case Study: Sulfathiazole
211(2)
References
213(1)
12 Refining X-ray Crystal Structures 214(22)
12.1 Introduction
214(1)
12.2 Structure Refinement in Theory
215(5)
12.3 Structure Refinement in Practice
220(10)
12.4 Absolute Structure
230(1)
12.5 Summary of Key Points
231(1)
12.6 Case Study: Sulfathiazole (Continued)
232(3)
References
235(1)
13 Disorder and Twinning 236(24)
13.1 Introduction
236(1)
13.2 Disorder
237(3)
13.3 Solvent Masking
240(4)
13.4 Twinning
244(8)
13.5 Summary of Key Points
252(1)
13.6 Case Study 1: Griseofulvin-Nitroethane (1:1)
252(3)
13.7 Case Study 2: L-Aspartic Acid
255(4)
References
259(1)
14 Crystallographic Results 260(26)
14.1 Introduction
260(1)
14.2 Uncertainties
261(5)
14.3 Interpreting Crystallographic Results
266(12)
14.4 Reporting Crystallographic Results
278(4)
14.5 Summary of Key Points
282(1)
14.6 Case Study: Perindoprilat Monohydrate
283(2)
References
285(1)
Subject Index 286