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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 and with its focus on molecular crystals, this book is equally applicable to chemists with a need to understand and apply X-ray crystal-structure determination.

Pharmaceutical Crystallography

• Cover


• Title


• Copyright


• Preface


• Contents


• 1 Pharmaceutical Solids


• Summary


• 1.1 Introduction


• 1.2 Classifying Pharmaceutical Solids: An Overview


• 1.3 Structural Classification: Crystalline and Amorphous Solids


• 1.3.1 Polymorphism


• 1.3.2 Polyamorphism


• 1.4 Chemical Classification: Single- and Multi-component Solids


• 1.4.1 Salts


• 1.4.2 Co-crystals


• 1.4.3 Solvates and Hydrates


• 1.5 Classifying Pharmaceutical Solids: More Details


• 1.5.1 Inconsistencies Between the Literature and Regulatory Guidelines


• 1.6 Summary of Key Points


• References


• 2 What Defines a Crystal?


• Summary


• 2.1 Introduction


• 2.2 Lattices


• 2.3 Unit Cells


• 2.4 Fractional Coordinates


• 2.5 Metric Properties


• 2.6 Summary of Key Points


• 2.7 Case Study: Mefenamic Acid


• Note


• References


• 3 Symmetry in Crystals


• Summary


• 3.1 Introduction


• 3.2 Point Symmetry Operations


• 3.2.1 Mirrors


• 3.2.2 Rotations


• 3.2.3 Inversions


• 3.2.4 Improper Rotations


• 3.2.5 The Identity Operation


• 3.2.6 A Brief Recap


• 3.3 Point Symmetry in Crystals


• 3.4 Space Symmetry Operations


• 3.4.1 Screws


• 3.4.2 Glides


• 3.5 Summary of Key Points


• 3.6 Case Study: Formoterol Fumarate Dihydrate


• References


• 4 Space Groups


• Summary


• 4.1 Introduction


• 4.2 General Concepts of Space Groups


• 4.2.1 Combining Symmetry Operations


• 4.2.2 Equivalent Positions


• 4.2.3