Information card for entry 7052564

Structure parameters

• Common name: 4-oxo-heptane-1,7-dioic acid 4,4'-bipyridine
• Formula: C17 H18 N2 O5
• Calculated formula: C17 H18 N2 O5
• SMILES: C(=O)(CCC(=O)CCC(=O)O)O.c1cc(ccn1)c1ccncc1
• Title of publication: The cocrystal of 4-oxopimelic acid and 4,4′-bipyridine: polymorphism and solid-state transformations
• Authors of publication: Halasz, Ivan; Rubčić, Mirta; Užarević, Krunoslav; Đilović, Ivica; Meštrović, Ernest
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 24
• a: 7.583 ± 0.003 Å
• b: 8.752 ± 0.002 Å
• c: 24.527 ± 0.006 Å
• α: 90°
• β: 92.29 ± 0.03°
• γ: 90°
• Cell volume: 1626.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0735
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No