Information card for entry 7206235

Structure parameters

• Formula: C13 H18 N7 O6
• Calculated formula: C13 H15 N7 O6
• SMILES: Oc1c(cc(O)cc1)C(=O)O.Nc1nc(N)nc(N)n1.O=CN(C)C.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: 38.011 ± 0.005 Å
• b: 9.212 ± 0.005 Å
• c: 20.43 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.437 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7057 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1367
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No