Information card for entry 2237237

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide
• Formula: C19 H15 N3 O2
• Calculated formula: C19 H15 N3 O2
• SMILES: O=C(c1ccccc1)Nc1cccc(n1)NC(=O)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide
• Authors of publication: Mahboubi Anarjan, Parisa; Noshiranzadeh, Nader; Bikas, Rahman; Woińska, Magdalena; Wozniak, Krzysztof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o102
• a: 5.0314 ± 0.0001 Å
• b: 5.0314 ± 0.0001 Å
• c: 58.701 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1486.01 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes