Information card for entry 2236391

Structure parameters

• Chemical name: Adipic acid–2,4-diamino-6-(4-methoxyphenyl)-1,3,5-triazine (1/2)
• Formula: C26 H32 N10 O6
• Calculated formula: C26 H32 N10 O6
• SMILES: OC(=O)CCCCC(=O)O.COc1ccc(cc1)c1nc(N)nc(n1)N.COc1ccc(cc1)c1nc(N)nc(n1)N
• Title of publication: Adipic acid–2,4-diamino-6-(4-methoxyphenyl)-1,3,5-triazine (1/2)
• Authors of publication: Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul; Arshad, Suhana; Jagatheesan, Rathinavel; Santhanaraj, Kulandaisamy Joseph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2938 - o2939
• a: 15.9952 ± 0.0009 Å
• b: 7.3104 ± 0.0005 Å
• c: 12.0351 ± 0.0007 Å
• α: 90°
• β: 96.912 ± 0.001°
• γ: 90°
• Cell volume: 1397.05 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes