Information card for entry 2238085

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[2,2'-(Phenylazanediyl)bis(ethane-2,1-diyl)]dipicolinamide
• Formula: C22 H23 N5 O2
• Calculated formula: C22 H23 N5 O2
• SMILES: O=C(c1ccccn1)NCCN(c1ccccc1)CCNC(=O)c1ccccn1
• Title of publication: <i>N</i>,<i>N</i>'-[2,2'-(Phenylazanediyl)bis(ethane-2,1-diyl)]dipicolinamide
• Authors of publication: Li, Gao-Nan; Niu, Zhi-Gang; Huang, Mei-Qi; Zou, Ying; Hu, Liang-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o677
• a: 8.64349 ± 0.00007 Å
• b: 24.821 ± 0.0003 Å
• c: 18.40861 ± 0.00018 Å
• α: 90°
• β: 90.5648 ± 0.0008°
• γ: 90°
• Cell volume: 3949.19 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes