Information card for entry 2212814

Structure parameters

• Chemical name: N,N'-Bis(4-methyl-2-benzothiazolyl)pyridine-2,6-dicarboxamide N,N-dimethylformamide solvate
• Formula: C26 H24 N6 O3 S2
• Calculated formula: C26 H24 N6 O3 S2
• SMILES: s1c(NC(=O)c2cccc(C(=O)Nc3sc4c(c(ccc4)C)n3)n2)nc2c(cccc12)C.N(C)(C)C=O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-methyl-2-benzothiazolyl)pyridine-2,6-dicarboxamide <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Liu, Sheng-Gui; Ni, Chun-Lin; Li, Yi-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1704 - o1705
• a: 17.346 ± 0.004 Å
• b: 7.614 ± 0.0015 Å
• c: 19.734 ± 0.004 Å
• α: 90°
• β: 98.22 ± 0.03°
• γ: 90°
• Cell volume: 2579.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0837
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes