Information card for entry 2215011

Structure parameters

• Chemical name: 4-Chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)- 1,3,5-triazin-2-aminium chloride
• Formula: C13 H23 Cl2 N5 O
• Calculated formula: C13 H23 Cl2 N5 O
• SMILES: Clc1nc(nc(OC)n1)NC1CC([NH2+]C(C)(C)C1)(C)C.[Cl-]
• Title of publication: 4-Chloro-6-methoxy-<i>N</i>-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-aminium chloride
• Authors of publication: Bin Zhou; Wen-Yuan Gao; Tie-Jun Zhang; Ke-Yue Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3716 - o3716
• a: 7.7987 ± 0.0016 Å
• b: 8.9425 ± 0.0018 Å
• c: 24.472 ± 0.005 Å
• α: 90°
• β: 90.36 ± 0.03°
• γ: 90°
• Cell volume: 1706.6 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1002
• 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