Information card for entry 2238103

Structure parameters

• Chemical name: <i>N</i>-{1,2-Bis(pyridin-3-yl)-2-[(<i>E</i>)-(pyridin-3-yl)methylideneamino]ethyl}nicotinamide
• Formula: C24 H20 N6 O
• Calculated formula: C24 H20 N6 O
• SMILES: O=C(c1cccnc1)N[C@@H]([C@H](c1cccnc1)/N=C/c1cccnc1)c1cccnc1.O=C(c1cccnc1)N[C@H]([C@@H](c1cccnc1)/N=C/c1cccnc1)c1cccnc1
• Title of publication: <i>N</i>-{1,2-Bis(pyridin-3-yl)-2-[(<i>E</i>)-(pyridin-3-yl)methylideneamino]ethyl}nicotinamide
• Authors of publication: Quiroa-Montalván, Claudia M.; Chávez, Daniel; Reyes-Martínez, Reyna; Morales-Morales, David; Parra-Hake, Miguel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o691 - o692
• a: 11.4868 ± 0.0017 Å
• b: 8.7275 ± 0.0013 Å
• c: 21.105 ± 0.003 Å
• α: 90°
• β: 99.857 ± 0.003°
• γ: 90°
• Cell volume: 2084.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1121
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes