Information card for entry 8107404

Structure parameters

• Formula: C22 H23 Br N2 O
• Calculated formula: C22 H23 Br N2 O
• Title of publication: Crystal structure of (E)-7-bromo-2-(4-(4-methylpiperazin-1-yl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C22H23BrN2O
• Authors of publication: Qi, Qin-Bing; Li, Wen-Xuan; Hou, Gui-Ge; Li, Cheng-Bo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 235 - 237
• a: 10.0543 ± 0.0001 Å
• b: 11.4893 ± 0.0001 Å
• c: 16.5853 ± 0.0001 Å
• α: 93.152 ± 0.001°
• β: 91.877 ± 0.001°
• γ: 97.097 ± 0.001°
• Cell volume: 1896.81 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No