Information card for entry 2020683

Structure parameters

• Chemical name: <i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)
• Formula: C21 H18 Br2 N4 O3
• Calculated formula: C21 H18 Br2 N4 O3
• SMILES: BrC(Br)c1nc2nc(NC(=O)c3ccccc3)ccc2c(c1)C.O=C1NC(=O)CC1
• Title of publication: Crystal structure of <i>N</i>-(7-dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)benzamide‒pyrrolidine-2,5-dione (1/1)
• Authors of publication: Wang, Bang Zhong; Zhou, Jun Ping; Zhou, Yong; Luo, Jian Song; Yang, Jun Jie; Chi, Shao M.ing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 1 - 3
• a: 9.6931 ± 0.0019 Å
• b: 15.699 ± 0.003 Å
• c: 14.614 ± 0.003 Å
• α: 90°
• β: 108.99 ± 0.03°
• γ: 90°
• Cell volume: 2102.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes