Information card for entry 2226865

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^-tetraethylpyridine-2,6- dicarboxamide
• Formula: C15 H22 Br N3 O2
• Calculated formula: C15 H22 Br N3 O2
• SMILES: Brc1cc(nc(C(=O)N(CC)CC)c1)C(=O)N(CC)CC
• Title of publication: 4-Bromo-<i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^-tetraethylpyridine-2,6-dicarboxamide
• Authors of publication: de Lill, Daniel T.; de Bettencourt-Dias, Ana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2124
• a: 17.7096 ± 0.0004 Å
• b: 8.4987 ± 0.0002 Å
• c: 21.5013 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3236.13 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes