Information card for entry 2237583

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(4-bromophenyl)pyridine-2,6-dicarboxamide
• Formula: C19 H13 Br2 N3 O2
• Calculated formula: C19 H13 Br2 N3 O2
• SMILES: O=C(c1cccc(n1)C(=O)Nc1ccc(cc1)Br)Nc1ccc(cc1)Br
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-bromophenyl)pyridine-2,6-dicarboxamide
• Authors of publication: Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Hussain, Rizwan; Butt, M. Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o416
• a: 9.55 ± 0.002 Å
• b: 22.698 ± 0.005 Å
• c: 8.748 ± 0.002 Å
• α: 90°
• β: 107.511 ± 0.005°
• γ: 90°
• Cell volume: 1808.4 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes