Information card for entry 4506662

Structure parameters

• Chemical name: 2-amino-4,6-dimethylpyrimidine-glutaric acid
• Formula: C17 H26 N6 O4
• Calculated formula: C17 H26 N6 O4
• SMILES: OC(=O)CCCC(=O)O.n1c(C)cc(nc1N)C.n1c(N)nc(cc1C)C
• Title of publication: Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons
• Authors of publication: Ebenezer, Samuel; Muthiah, P. Thomas
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3766
• a: 29.6875 ± 0.0011 Å
• b: 4.6937 ± 0.0002 Å
• c: 14.2292 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1982.76 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4506406
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No