Information card for entry 2004280

Structure parameters

• Formula: C13 H15 N3 O8
• Calculated formula: C13 H15 N3 O8
• Title of publication: Molecular Co-Crystals of Carboxylic Acids. 22. The Adducts of Pyrazine-2,3-dicarboxylic Acid with 2-Aminobenzoic Acid (1:2) and 3-Aminobenzoic Acid (1:1 Dihydrate)
• Authors of publication: Smith, G.; Lynch, D. E.; Byriel, K. A.; Kennard, C. H. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2629 - 2633
• a: 7.892 ± 0.001 Å
• b: 9.49 ± 0.002 Å
• c: 10.115 ± 0.002 Å
• α: 91.83 ± 0.001°
• β: 91.46 ± 0.001°
• γ: 100.35 ± 0.002°
• Cell volume: 744.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.119
• Goodness-of-fit parameter for significantly intense reflections: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No