Information card for entry 8106047

Structure parameters

• Formula: C24 H19 Br N2 O3
• Calculated formula: C24 H19 Br N2 O3
• SMILES: Brc1ccc(NC2=C(c3ccc(OC)cc3)C(=O)N(C2=O)Cc2ccccc2)cc1
• Title of publication: Crystal structure of 1-benzyl-3-((4-bromophenyl)amino)-4-(4-methoxyphenyl)-1H-pyrrole-2,5-dione, C24H19BrN2O3
• Authors of publication: Lv, Meng Lan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 71 - 72
• a: 9.1003 ± 0.0005 Å
• b: 9.9785 ± 0.0006 Å
• c: 12.9831 ± 0.0006 Å
• α: 74.611 ± 0.005°
• β: 76.063 ± 0.004°
• γ: 64.264 ± 0.005°
• Cell volume: 1013.17 ± 0.11 ų
• Cell temperature: 294.39 ± 0.1 K
• Ambient diffraction temperature: 294.39 ± 0.1 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: 0.05
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No