Information card for entry 8105706

Structure parameters

• Chemical name: 4-Hydroxy-3-Methoxybenzoic Acid 4,4'-Bipyridine
• Formula: C18 H16 N2 O4
• Calculated formula: C18 H16 N2 O4
• SMILES: C(=O)(c1cc(c(cc1)O)OC)O.c1cc(ccn1)c1ccncc1
• Title of publication: The co-crystal structure of 4-hydroxy-3-methoxybenzoic acid – 4,4′-bipyridine, C8H8O4·C10H8N2
• Authors of publication: Angevine, Devin J.; Benedict, Jason B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 397 - 398
• a: 13.427 ± 0.004 Å
• b: 10.069 ± 0.003 Å
• c: 12.751 ± 0.004 Å
• α: 90°
• β: 116.124 ± 0.007°
• γ: 90°
• Cell volume: 1547.8 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No