Information card for entry 2220188

Structure parameters

• Chemical name: 6-Bromo-2-naphthol‒piperazine (2/1)
• Formula: C24 H24 Br2 N2 O2
• Calculated formula: C24 H24 Br2 N2 O2
• SMILES: Brc1cc2ccc(O)cc2cc1.C1CNCCN1.Brc1cc2ccc(O)cc2cc1
• Title of publication: 6-Bromo-2-naphthol‒piperazine (2/1)
• Authors of publication: Tian, Yan; Cui, Deliang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2334
• a: 10.1327 ± 0.0004 Å
• b: 16.2494 ± 0.0007 Å
• c: 14.3499 ± 0.0005 Å
• α: 90°
• β: 108.238 ± 0.002°
• γ: 90°
• Cell volume: 2244.02 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0993
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes