Crystal Engineering on Organic Pigments

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<strong>Crystal</strong> structure of the solid solution Rietveld refinement (Synchrotron data): R p = 5.4, R wp = 8.0, R F2 = 17.3, � 2 = 11.7 Better lattice energy Higher density (� = 1.75) Industrial development in progress [M. U. Schmidt, P. Kempter, R. Born, European Patent 1199309 A1 (2002) M. U. Schmidt, P. Kempter, C. Plüg, R. Born, European Patent 1201718 A2 (2002)]
Example 4: Diaryl Pigments CH 3 O Cl H N H O R2 N N N N R2 O H N H Cl O H C 3 R4 R5 Name R2 R4 R5 rel. Colour strength (�) P. Yellow 12 H H H 100 % P. Yellow 13 CH 3 CH 3 H 141 % P. Yellow 14 CH 3 H H ca. 106 % (not fully optimized) P. Yellow 83 O-CH 3 Cl O-CH 3 138 % Production: 65 000 t / year Sales: > 300 Mio € / year) R5 R4
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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 59 and 60: Polymorphism of Pigment Red 53:2 Na
Page 71 and 72: � Polymorphism of Pigment Red 53:
Page 73 and 74: Example 2: Weather fastness of Pigm
Page 75 and 76: N H 2 N N Pigment Red 170 O H O O H
Page 77 and 78: N H 2 N N Pigment Red 170 O H O O H
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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