Information card for entry 4502057

Structure parameters

• Common name: 1:1 Co-crystal of 3HBA + BPEE
• Chemical name: 1:1 Co-crystal of 3-hydroxybenzoic acid and trans-1,2-bis(4-pyridyl)ethene
• Formula: C19 H16 N2 O3
• Calculated formula: C19 H16 N2 O3
• 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: 8.12889 ± 0.00024 Å
• b: 10.36002 ± 0.00031 Å
• c: 10.91631 ± 0.00033 Å
• α: 114.451 ± 0.0034°
• β: 104.451 ± 0.0031°
• γ: 93.1661 ± 0.0028°
• Cell volume: 797.19 ± 0.05 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: 1.481
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.697865 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No