Information card for entry 2222734

Structure parameters

• Chemical name: 4-[(<i>Z</i>)-(2-Ethoxy-4-oxochroman-3-ylidene)methylamino]benzenesulfonamide monohydrate
• Formula: C18 H20 N2 O6 S
• Calculated formula: C18 H20 N2 O6 S
• SMILES: S(=O)(=O)(N)c1ccc(N/C=C2\C(=O)c3c(OC2OCC)cccc3)cc1.O
• Title of publication: 4-[(<i>Z</i>)-(2-Ethoxy-4-oxochroman-3-ylidene)methylamino]benzenesulfonamide monohydrate
• Authors of publication: Mariya-al-Rashida; Tahir, M. Nawaz; Nagra, Saeed Ahmad; Imran, Muhammed; Iqbal, Javed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1818 - o1819
• a: 8.2727 ± 0.0006 Å
• b: 10.0166 ± 0.0008 Å
• c: 11.583 ± 0.0009 Å
• α: 102.48 ± 0.005°
• β: 97.049 ± 0.004°
• γ: 96.731 ± 0.004°
• Cell volume: 919.77 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1816
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes