Information card for entry 2017813

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(propane-1,3-diyl)bis(pyridine-2-carboxamide)
• Formula: C15 H16 N4 O2
• Calculated formula: C15 H16 N4 O2
• SMILES: c1cccc(C(=O)NCCCNC(=O)c2ccccn2)n1
• Title of publication: Amide hydrogen bonding: control of the molecular and extended structures of two symmetrical pyridine-2-carboxamide derivatives
• Authors of publication: Munro, Orde Q.; Wilson, Colin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o535 - o539
• a: 16.7558 ± 0.0015 Å
• b: 9.9188 ± 0.0007 Å
• c: 9.7665 ± 0.0006 Å
• α: 90°
• β: 110.14 ± 0.008°
• γ: 90°
• Cell volume: 1523.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes