Information card for entry 7150485

Structure parameters

• Chemical name: N,N'-bis(2-pyridyl)-1,3-diaminobenzene sebacic acid
• Formula: C26 H32 N4 O4
• Calculated formula: C26 H32 N4 O4
• SMILES: c1(ccccn1)Nc1cccc(Nc2ccccn2)c1.OC(=O)CCCCCCCCC(=O)O
• Title of publication: Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5
• Authors of publication: Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 1425
• a: 5.492 ± 0.001 Å
• b: 34.585 ± 0.002 Å
• c: 6.318 ± 0.001 Å
• α: 90°
• β: 102.81 ± 0.01°
• γ: 90°
• Cell volume: 1170.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No