Information card for entry 2200079

Structure parameters

• Chemical name: 2-Amino-4-chloro-6-(4-carbamoylpyperidinyl)pyrimidine hemihydrate
• Formula: C10 H15 Cl N5 O1.5
• Calculated formula: C10 H15 Cl N5 O1.5
• SMILES: n1c(N)nc(Cl)cc1N1CCC(CC1)C(=O)N.O
• Title of publication: 2-Amino-4-chloro-6-(4-carbamoylpiperidin-1-yl)pyrimidine hemihydrate
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o50 - o51
• a: 15.559 ± 0.003 Å
• b: 9.3139 ± 0.0019 Å
• c: 16.493 ± 0.003 Å
• α: 90°
• β: 102.08 ± 0.03°
• γ: 90°
• Cell volume: 2337.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes