Information card for entry 2236390

Structure parameters

• Chemical name: 6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
• Formula: C10 H11 N5 O
• Calculated formula: C10 H11 N5 O
• SMILES: O(c1ccc(c2nc(N)nc(N)n2)cc1)C
• Title of publication: 6-(4-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
• Authors of publication: Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul; Arshad, Suhana; Jagatheesan, Rathinavel; Santhanaraj, K. Joseph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2910
• a: 7.434 ± 0.0002 Å
• b: 10.0355 ± 0.0003 Å
• c: 14.6803 ± 0.0004 Å
• α: 90°
• β: 114.191 ± 0.001°
• γ: 90°
• Cell volume: 999.03 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes