Information card for entry 4503824

Structure parameters

• Common name: 2:3 Co-crystal of 3HBA + TMP
• Chemical name: 2:3 Co-crystal of 3-hydroxybenzoic acid and Tetramethylpyrazine
• Formula: C19 H24 N3 O3
• Calculated formula: C19 H24 N3 O3
• Title of publication: Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety
• Authors of publication: Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 4533
• a: 9.461 ± 0.014 Å
• b: 17.807 ± 0.003 Å
• c: 11.081 ± 0.017 Å
• α: 90°
• β: 92.184 ± 0.003°
• γ: 90°
• Cell volume: 1865 ± 4 ų
• Cell temperature: 50 ± 2 K
• Ambient diffraction temperature: 50 ± 2 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: 0.0868
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No