1 Pharmaceutical Solids |
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1 | (15) |
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1 | (1) |
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1.2 Classifying Pharmaceutical Solids: An Overview |
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2 | (2) |
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1.3 Structural Classification: Crystalline and Amorphous Solids |
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4 | (4) |
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1.4 Chemical Classification: Single- and Multi-component Solids |
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8 | (3) |
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1.5 Classifying Pharmaceutical Solids: More Details |
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11 | (4) |
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1.6 Summary of Key Points |
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15 | (1) |
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15 | (1) |
2 What Defines a Crystal? |
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16 | (12) |
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16 | (1) |
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17 | (3) |
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20 | (3) |
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2.4 Fractional Coordinates |
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23 | (1) |
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24 | (1) |
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2.6 Summary of Key Points |
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24 | (1) |
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2.7 Case Study: Mefenamic Acid |
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25 | (2) |
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27 | (1) |
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27 | (1) |
3 Symmetry in Crystals |
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28 | (20) |
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28 | (1) |
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3.2 Point Symmetry Operations |
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29 | (9) |
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3.3 Point Symmetry in Crystals |
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38 | (2) |
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3.4 Space Symmetry Operations |
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40 | (3) |
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3.5 Summary of Key Points |
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43 | (1) |
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3.6 Case Study: Formoterol Fumarate Dihydrate |
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44 | (3) |
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47 | (1) |
4 Space Groups |
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48 | (20) |
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48 | (1) |
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4.2 General Concepts of Space Groups |
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49 | (5) |
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54 | (2) |
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56 | (5) |
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61 | (1) |
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4.6 Other Classifications of Space Groups |
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62 | (1) |
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4.7 Summary of Key Points |
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63 | (1) |
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4.8 Case Study: The Monoclinic Form of Paracetamol (Acetaminophen) |
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64 | (3) |
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67 | (1) |
5 Planes and Crystal Morphology |
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68 | (14) |
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68 | (1) |
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5.2 Defining Planes in Crystals |
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69 | (5) |
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5.3 Crystal Planes and Crystal Faces |
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74 | (4) |
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5.4 Summary of Key Points |
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78 | (1) |
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5.5 Case Study: BFDH Morphology of Famotidine Form A |
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78 | (3) |
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81 | (1) |
6 Crystal Structures and Diffraction Patterns |
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82 | (25) |
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82 | (1) |
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83 | (1) |
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6.3 The Geometry of Diffraction from a Single Crystal |
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83 | (10) |
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6.4 The Intensities of Diffraction from a Single Crystal |
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93 | (8) |
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101 | (1) |
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6.6 Summary of Key Points |
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102 | (1) |
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6.7 Case Study: Ropivacaine Hydrochloride Form 2 |
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103 | (3) |
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106 | (1) |
7 Symmetry in Diffraction Patterns |
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107 | (18) |
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107 | (1) |
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7.2 Symmetry in Diffraction Patterns |
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108 | (8) |
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7.3 Centrosymmetric and Non-centrosymmetric Structures |
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116 | (6) |
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7.4 Summary of Key Points |
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122 | (1) |
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7.5 Case Study: Ropivacaine Hydrochloride Form 2 (Continued) |
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123 | (2) |
8 Single-crystal X-ray Diffraction (Part 1) |
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125 | (24) |
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125 | (1) |
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8.2 Overview of a Single-crystal X-ray Diffractometer |
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126 | (5) |
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8.3 Setting Up the Analysis |
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131 | (4) |
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8.4 Measuring the Geometry of Diffraction |
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135 | (8) |
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8.5 Measuring Crystal Morphology |
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143 | (1) |
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8.6 Summary of Key Points |
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144 | (1) |
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8.7 Case Study: Aspirin Form I |
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145 | (3) |
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148 | (1) |
9 Single-crystal X-ray Diffraction (Part 2) |
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149 | (19) |
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149 | (1) |
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9.2 Measuring the Diffracted Intensities |
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150 | (10) |
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9.3 Measure First, Analyse Later |
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160 | (1) |
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9.4 What's the Outcome of a Single-crystal Data Collection? |
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161 | (2) |
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9.5 Summary of Key Points |
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163 | (2) |
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9.6 Case Study: Aspirin Form I (Continued) |
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165 | (3) |
10 Powder X-ray Diffraction |
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168 | (26) |
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168 | (1) |
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10.2 Relating Powder Diffraction to Single-crystal Diffraction |
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169 | (6) |
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10.3 Powder X-ray Diffraction Measurements |
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175 | (9) |
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184 | (1) |
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10.5 Extracting Information from a PXRD Pattern |
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185 | (4) |
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10.6 Summary of Key Points |
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189 | (1) |
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10.7 Case Study: Celecoxib |
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190 | (3) |
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193 | (1) |
11 Solving X-ray Crystal Structures |
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194 | (20) |
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194 | (1) |
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11.2 Building the Electron Density From the Structure Factors |
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195 | (7) |
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202 | (4) |
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11.4 Structure Solution in Practice |
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206 | (1) |
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11.5 Developing the Structure Model |
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207 | (2) |
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11.6 Summary of Key Points |
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209 | (2) |
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11.7 Case Study: Sulfathiazole |
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211 | (2) |
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213 | (1) |
12 Refining X-ray Crystal Structures |
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214 | (22) |
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214 | (1) |
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12.2 Structure Refinement in Theory |
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215 | (5) |
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12.3 Structure Refinement in Practice |
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220 | (10) |
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230 | (1) |
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12.5 Summary of Key Points |
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231 | (1) |
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12.6 Case Study: Sulfathiazole (Continued) |
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232 | (3) |
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235 | (1) |
13 Disorder and Twinning |
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236 | (24) |
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236 | (1) |
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237 | (3) |
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240 | (4) |
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244 | (8) |
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13.5 Summary of Key Points |
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252 | (1) |
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13.6 Case Study 1: Griseofulvin-Nitroethane (1:1) |
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252 | (3) |
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13.7 Case Study 2: L-Aspartic Acid |
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255 | (4) |
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259 | (1) |
14 Crystallographic Results |
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260 | (26) |
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260 | (1) |
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261 | (5) |
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14.3 Interpreting Crystallographic Results |
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266 | (12) |
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14.4 Reporting Crystallographic Results |
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278 | (4) |
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14.5 Summary of Key Points |
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282 | (1) |
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14.6 Case Study: Perindoprilat Monohydrate |
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283 | (2) |
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285 | (1) |
Subject Index |
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286 | |