Information card for entry 2236894

Structure parameters

• Chemical name: 1-(2-Amino-6-methylpyrimidin-4-yl)-<i>N</i>,<i>N</i>-dimethylpiperidin- 4-aminium chloride
• Formula: C12 H22 Cl N5
• Calculated formula: C12 H22 Cl N5
• SMILES: [Cl-].n1c(N2CCC([NH+](C)C)CC2)cc(nc1N)C
• Title of publication: 1-(2-Amino-6-methylpyrimidin-4-yl)-<i>N</i>,<i>N</i>-dimethylpiperidin-4-aminium chloride
• Authors of publication: Sreenivasa, S.; ManojKumar, K.E.; Suchetan, P.A.; Srinivasan, T.; Palakshamurthy, B. S.; Velmurgan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3371
• a: 24.7908 ± 0.0012 Å
• b: 8.2419 ± 0.0004 Å
• c: 13.8764 ± 0.0006 Å
• α: 90°
• β: 91.968 ± 0.002°
• γ: 90°
• Cell volume: 2833.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes