Information card for entry 2242301

Structure parameters

• Chemical name: Bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide] dioxane hemisolvate
• Formula: C24 H22 Br4 N6 O3
• Calculated formula: C24 H22 Br4 N6 O3
• Title of publication: Crystal structures of the dioxane hemisolvates of <i>N</i>-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide and bis[<i>N</i>-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide]
• Authors of publication: Rosin, Robert; Seichter, Wilhelm; Mazik, Monika
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 10
• Pages of publication: 1409 - 1413
• a: 9.4065 ± 0.0005 Å
• b: 9.5271 ± 0.0005 Å
• c: 16.6464 ± 0.001 Å
• α: 88.777 ± 0.003°
• β: 81.057 ± 0.002°
• γ: 64.928 ± 0.002°
• Cell volume: 1333.15 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes