Information card for entry 2020091

Structure parameters

• Chemical name: 2,4-Diamino-6-methyl-1,3,5-triazine‒2,6-dichlorophenol (1/1)
• Formula: C10 H11 Cl2 N5 O
• Calculated formula: C10 H11 Cl2 N5 O
• Title of publication: Cocrystals of 2,6-dichloroaniline and 2,6-dichlorophenol plus three new pseudopolymorphs of their coformers
• Authors of publication: Gerhardt, Valeska; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• a: 5.0318 ± 0.0007 Å
• b: 8.5779 ± 0.0011 Å
• c: 15.008 ± 0.002 Å
• α: 93.929 ± 0.011°
• β: 96.214 ± 0.011°
• γ: 100.121 ± 0.011°
• Cell volume: 631.41 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes