Information card for entry 7208904

Structure parameters

• Chemical name: 03-03BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)8-COOH
• Formula: C20 H26 N4 O4
• Calculated formula: C20 H26 N4 O4
• SMILES: n1cc(N=Nc2cnccc2)ccc1.C(=O)(O)CCCCCCCCC(=O)O
• Title of publication: Interdependence of structure and physical properties in co-crystals of azopyridines
• Authors of publication: Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 463
• a: 7.0388 ± 0.0014 Å
• b: 8.2451 ± 0.0018 Å
• c: 17.49 ± 0.004 Å
• α: 77.525 ± 0.014°
• β: 80.368 ± 0.013°
• γ: 85.474 ± 0.014°
• Cell volume: 976.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1782
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No