Information card for entry 2008266

Structure parameters

• Chemical name: 2-Aminopyrimidine and p-phenylenediacetic acid
• Formula: C14 H15 N3 O4
• Calculated formula: C14 H15 N3 O4
• SMILES: Nc1ncccn1.OC(=O)Cc1ccc(cc1)CC(=O)O
• Title of publication: 2-Aminopyrimidine and <i>p</i>-phenylenediacetic acid (1:1) co-crystal
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Shyamaprasad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 399 - 401
• a: 4.5686 ± 0.0001 Å
• b: 15.7687 ± 0.0002 Å
• c: 20.1621 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1452.5 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No