Information card for entry 8105545

Structure parameters

• Formula: C22 H19 Br N2 O
• Calculated formula: C22 H19 Br N2 O
• SMILES: Brc1ccc2N(c3c(C(=O)c2c1)cc(cc3)c1ccc(N(C)C)cc1)C
• Title of publication: Crystal structure of 2-bromo-7-(4-(dimethylamino)phenyl)-10-methylacridin-9 (10H)-one, C22H19BrN2O
• Authors of publication: Songhua, Chen; Jien, Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 71 - 72
• a: 8.0338 ± 0.0016 Å
• b: 9.0803 ± 0.0018 Å
• c: 24.281 ± 0.005 Å
• α: 90°
• β: 95.78 ± 0.03°
• γ: 90°
• Cell volume: 1762.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No