Information card for entry 2013544

Structure parameters

• Chemical name: 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine
• Formula: C9 H14 N4 O3
• Calculated formula: C9 H14 N4 O3
• SMILES: O(c1nc(nc(OC)n1)N1CCOCC1)C
• Title of publication: Derivatives of 2,4-dimethoxy-1,3,5-triazine
• Authors of publication: Natalya Fridman; Moshe Kapon; Menahem Kaftory
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o687 - o689
• a: 10.244 ± 0.002 Å
• b: 9.208 ± 0.003 Å
• c: 11.615 ± 0.003 Å
• α: 90°
• β: 99.7 ± 0.03°
• γ: 90°
• Cell volume: 1079.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.148
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes