Information card for entry 7206238

Structure parameters

• Formula: C10 H16 N6 O5
• Calculated formula: C10 H16 N6 O5
• SMILES: Nc1nc(N)nc(N)[nH+]1.Oc1ccc(cc1)C(=O)[O-].O.O
• 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: 7.571 Å
• b: 10.857 ± 0.001 Å
• c: 16.477 ± 0.001 Å
• α: 87.12 ± 0.005°
• β: 85.51 ± 0.005°
• γ: 82.63 ± 0.005°
• Cell volume: 1337.96 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No