Information card for entry 2236830

Structure parameters

• Chemical name: 4-Methyl-2,6-bis(pyrrolidin-1-yl)pyrimidine
• Formula: C13 H20 N4
• Calculated formula: C13 H20 N4
• SMILES: N1(CCCC1)c1nc(N2CCCC2)cc(n1)C
• Title of publication: 4-Methyl-2,6-bis(pyrrolidin-1-yl)pyrimidine
• Authors of publication: Sreenivasa, S.; ManojKumar, K. E.; Shet Prakash, M.; Suchetan, P. A.; Palakshamurthy, B. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3440
• a: 6.344 ± 0.003 Å
• b: 8.766 ± 0.004 Å
• c: 12.056 ± 0.006 Å
• α: 79.1 ± 0.03°
• β: 86.05 ± 0.03°
• γ: 85.72 ± 0.03°
• Cell volume: 655.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes