Information card for entry 2010827

Structure parameters

• Chemical name: 1:1 Hetero-assembly of 2-Aminopyrimidine and (+)-Camphoric acid
• Formula: C14 H21 N3 O4
• Calculated formula: C14 H21 N3 O4
• SMILES: O=C(O)[C@]1(C([C@H](CC1)C(=O)O)(C)C)C.n1c(nccc1)N
• Title of publication: 1:1 Hetero-assembly of 2-aminopyrimidine and (+)-camphoric acid
• Authors of publication: Shyamaprosad Goswami; Reshmi Mukherjee; Kumaresh Ghosh; Ibrahim Abdul Razak; S. Shanmuga Sundara Raj; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 477 - 478
• a: 7.146 ± 0.001 Å
• b: 10.561 ± 0.001 Å
• c: 21.306 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1607.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes