Information card for entry 2005395

Structure parameters

• Chemical name: 2-(4-bromophenyl)-1-diethylaminomethyl-6,8-dimethylimidazo[1,2-a][1,8] naphthyridine.
• Formula: C23 H25 Br N4
• Calculated formula: C23 H25 Br N4
• SMILES: Brc1ccc(c2nc3n(c4nc(cc(c4cc3)C)C)c2CN(CC)CC)cc1
• Title of publication: Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~
• Authors of publication: Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2239 - 2243
• a: 12.134 ± 0.001 Å
• b: 12.833 ± 0.002 Å
• c: 15.25 ± 0.002 Å
• α: 113.98 ± 0.01°
• β: 91.33 ± 0.01°
• γ: 105.68 ± 0.01°
• Cell volume: 2064.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.1829
• Weighted residual factors for significantly intense reflections: 0.1468
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No