Information card for entry 1557683

Structure parameters

• Chemical name: 4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile
• Formula: C10 H13 N5
• Calculated formula: C10 H13 N5
• SMILES: c1(c(ncnc1N1CCCCC1)N)C#N
• Title of publication: 4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile
• Authors of publication: Bhat, Radhika; Shraddha, K. N.; Begum, Noor Shahina
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 3
• a: 10.7335 ± 0.0009 Å
• b: 12.4005 ± 0.001 Å
• c: 7.9206 ± 0.0006 Å
• α: 90°
• β: 93.654 ± 0.004°
• γ: 90°
• Cell volume: 1052.09 ± 0.15 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes