Information card for entry 2237313

Structure parameters

• Chemical name: <i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide‒ pyrrolidine-2,5-dione (1/1)
• Formula: C16 H16 Br2 N4 O3
• Calculated formula: C16 H16 Br2 N4 O3
• SMILES: O=C1CCC(=O)N1.CC(=O)Nc1ccc2c(n1)nc(cc2C)C(Br)Br
• Title of publication: <i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide‒pyrrolidine-2,5-dione (1/1)
• Authors of publication: Gou, Gao-Zhang; Kou, Jun-Feng; Zhou, Qing-Di; Chi, Shao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o153 - o154
• a: 11.537 ± 0.002 Å
• b: 7.0093 ± 0.0014 Å
• c: 11.632 ± 0.002 Å
• α: 90°
• β: 106.57 ± 0.03°
• γ: 90°
• Cell volume: 901.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes