Information card for entry 1543980

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)octanediamide
• Formula: C18 H22 N4 O2
• Calculated formula: C18 H22 N4 O2
• SMILES: O=C(Nc1ncccc1)CCCCCCC(=O)Nc1ncccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(pyridin-2-yl)octanediamide
• Authors of publication: Dziuk, Błażej; Ośmiałowski, Borys; Ejsmont, Krzysztof; Zarychta, Bartosz
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161309
• a: 11.9289 ± 0.0007 Å
• b: 13.2908 ± 0.0006 Å
• c: 11.5 ± 0.0006 Å
• α: 90°
• β: 111.497 ± 0.007°
• γ: 90°
• Cell volume: 1696.43 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes