Information card for entry 7211675

Structure parameters

• Formula: C13 H11 N5 O3
• Calculated formula: C13 H11 N5 O3
• SMILES: c12c(cccc1cccc2)N=Nc1[nH]cc[nH+]1.N(=O)(=O)[O-]
• Title of publication: Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation
• Authors of publication: Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 250
• a: 6.8263 ± 0.0002 Å
• b: 11.5549 ± 0.0003 Å
• c: 17.0562 ± 0.0004 Å
• α: 90°
• β: 96.788 ± 0.001°
• γ: 90°
• Cell volume: 1335.92 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No