Information card for entry 4502053

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: 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: 9.4644 ± 0.0003 Å
• b: 17.7343 ± 0.0005 Å
• c: 10.9533 ± 0.0003 Å
• α: 90°
• β: 91.782 ± 0.003°
• γ: 90°
• Cell volume: 1837.56 ± 0.09 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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
• Goodness-of-fit parameter for all reflections: 1.411
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.698697 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No