Information card for entry 7206236

Structure parameters

• Formula: C10 H12 N6 O4
• Calculated formula: C10 H12 N6 O4
• SMILES: Oc1c(c(O)ccc1)C(=O)[O-].Nc1nc(N)nc(N)[nH+]1
• Title of publication: Propensity of formation of zipper architecture vs. Lincoln log arrangement in solvated molecular complexes of melamine with hydroxybenzoic acids
• Authors of publication: SeethaLekshmi, Sunil; Guru Row, T. N.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 15
• Pages of publication: 4886
• a: 14.372 ± 0.001 Å
• b: 8.549 ± 0.001 Å
• c: 20.671 ± 0.002 Å
• α: 90 ± 0.007°
• β: 114.23°
• γ: 90°
• Cell volume: 2316 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1371
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No