Information card for entry 2234879

Structure parameters

• Chemical name: 6-Chloro-<i>N</i>^4^,<i>N</i>^4^-dimethylpyrimidine-2,4-diamine
• Formula: C6 H9 Cl N4
• Calculated formula: C6 H9 Cl N4
• SMILES: n1c(N(C)C)cc(nc1N)Cl
• Title of publication: 6-Chloro-<i>N</i>^4^,<i>N</i>^4^-dimethylpyrimidine-2,4-diamine
• Authors of publication: Pang, Yuan-Yuan; Yu, Kai; Sun, Bin; Guo, Dian-Shun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1294 - o1295
• a: 7.9438 ± 0.0019 Å
• b: 14.225 ± 0.003 Å
• c: 14.895 ± 0.003 Å
• α: 100.114 ± 0.003°
• β: 94.421 ± 0.004°
• γ: 100.524 ± 0.004°
• Cell volume: 1618.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes