Information card for entry 2219280

Structure parameters

• Chemical name: (<i>E</i>)-4-[(5-Methyl-2-furyl)methyleneamino]benzenesulfonic acid
• Formula: C12 H11 N O4 S
• Calculated formula: C12 H11 N O4 S
• SMILES: N(=C\c1oc(cc1)C)/c1ccc(S(=O)(=O)O)cc1
• Title of publication: (<i>E</i>)-4-[(5-Methyl-2-furyl)methyleneamino]benzenesulfonic acid
• Authors of publication: Suo, Jianlan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1788
• a: 13.9761 ± 0.0011 Å
• b: 11.982 ± 0.0015 Å
• c: 7.3266 ± 0.001 Å
• α: 90°
• β: 95.801 ± 0.001°
• γ: 90°
• Cell volume: 1220.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes