Information card for entry 2216487

Structure parameters

• Chemical name: 4,6-dichloro-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine
• Formula: C10 H8 Cl2 N4 O
• Calculated formula: C10 H8 Cl2 N4 O
• SMILES: Clc1nc(Cl)nc(n1)Nc1ccc(OC)cc1
• Title of publication: 4,6-Dichloro-<i>N</i>-(4-methoxyphenyl)-1,3,5-triazin-2-amine
• Authors of publication: Tao Zeng; Wan-Zhong Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4622 - o4622
• a: 7.609 ± 0.0016 Å
• b: 20.635 ± 0.004 Å
• c: 8.3081 ± 0.0017 Å
• α: 90°
• β: 115.908 ± 0.003°
• γ: 90°
• Cell volume: 1173.4 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0398
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes