Information card for entry 4505664

Structure parameters

• Formula: C17 H16 Cl N3 O2
• Calculated formula: C17 H16 Cl N3 O2
• SMILES: Clc1ccccc1N/N=C(C(=O)Nc1ccccc1C)/C(=O)C
• Title of publication: Maize 1: A Trimorphic Azo Pigment
• Authors of publication: Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1021
• a: 8.2623 ± 0.0018 Å
• b: 8.3431 ± 0.0017 Å
• c: 12.144 ± 0.003 Å
• α: 76.523 ± 0.004°
• β: 83.988 ± 0.004°
• γ: 73.782 ± 0.004°
• Cell volume: 781 ± 0.3 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No