Information card for entry 4502054

Structure parameters

• Common name: 1:1 Co-crystal of 3HBA + BP
• Chemical name: 1:1 Co-crystal of 3-hydroxybenzoic acid and 4,4'-Bipyridine
• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• SMILES: c1(cc(ccc1)O)C(=O)O.c1(ccncc1)c1ccncc1
• Title of publication: A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques
• Authors of publication: Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4630
• a: 8.2321 ± 0.0002 Å
• b: 9.051 ± 0.0003 Å
• c: 10.4684 ± 0.0003 Å
• α: 71.731 ± 0.002°
• β: 72.433 ± 0.002°
• γ: 87.083 ± 0.003°
• Cell volume: 705.31 ± 0.04 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 2.433
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.698404 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No