Crystal Engineering on Organic Pigments

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<strong>Crystal</strong> structure of Pigment Yellow 12 Twisted molecules Herringbone packing [M.U. Schmidt, R.E. Dinnebier, H. Kalkhof, J. Phys. Chem. B 111 (2007), 9722-9732] P2 1/c, Z = 4 a = 17.878(4) Å b = 7.365(2) Å c = 24.365(5) Å � = 112.8(2)º Rigid-Body Rietveld refinement: R p = 9.12 % R wp = 12.69 % R F2 = 14.62 % � 2 = 3.8
Pigment Yellow 14: Structure solution by lattice energy minimization using CRYSCA 60000 50000 40000 30000 20000 10000 0 Intensity / Counts Experimental X-ray powder diagram (Lab data) 10 15 20 25 30 35 2� / ° [M.U. Schmidt, R.E. Dinnebier, H. Kalkhof, J. Phys. Chem. B 111 (2007), 9722-9732]
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Crystal En
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Applications: - Laquers & paints -
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Example 1: Colours of quinacridones
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H N O H N O Isolated molecule Weak
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Polymorphs of quinacridone: A real
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Described polymorphs � Polymorphs
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Described polymorphs � � B I Po
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Described polymorphs � � B I
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Polymorphs of quinacridones � I
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� phase Quinacridone: Synthesis N
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Crystal En
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Crystal En
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Polymorph screening without knowled
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Polymorphism of Pigment Red 53:2 Na
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Page 65 and 66: Polymorphism of Pigment Red 53:2 Na
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Page 73 and 74: Example 2: Weather fastness of Pigm
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Page 80 and 81: Extraction of reliable reflection i
Page 82 and 83: Determination of crystal structures
Page 84 and 85: Lattice energy minimizations (CRYSC
Page 86 and 87: Pigment Red 170 P2 1 /n, Z = 4, a =
Page 88 and 89: Pigment Red 170: New derivatives an
Page 90 and 91: O Violet pigment Example 3: Methyl-
Page 92 and 93: Methyl-dioxazine: Structure solutio
Page 98 and 99: Crystal structure
Page 104 and 105: Methyl - ethyl compound O C H 3 H N
Page 106 and 107: H N O N H3C N O O C H 3 Cl Cl Methy
Page 108 and 109: Solid solution Solid solution (�
Page 112 and 113: Example 4: Diaryl Pigments CH 3 O C
Page 114 and 115: Example 4: Diaryl Pigments CH 3 O C
Page 118 and 119: Pigment Yellow 14: Structure soluti
Page 120 and 121: Pigment Yellow 14: Structure soluti
Page 122 and 123: Pigment Yellow 14: Synchrotron data
Page 126 and 127: Diaryl pigments: Understanding the
Page 128 and 129: Diaryl pigments: Understanding the
Page 130 and 131: Diaryl pigments: Crystal</s
Page 142: Diaryl pigments: Crystal</s
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Crystal Engineering on Organic Pigments

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