Information card for entry 4508134

Structure parameters

• Chemical name: (3-hydroxybenzoic acid).(acridine) form I
• Formula: C20 H15 N O3
• Calculated formula: C20 H15 N O3
• SMILES: c1(cc(ccc1)O)C(=O)O.c12ccccc1cc1ccccc1n2
• Title of publication: Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds
• Authors of publication: Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3935
• a: 6.8072 ± 0.0014 Å
• b: 9.4831 ± 0.0019 Å
• c: 24.016 ± 0.005 Å
• α: 90°
• β: 94.459 ± 0.004°
• γ: 90°
• Cell volume: 1545.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No