Information card for entry 2005666

Structure parameters

• Chemical name: N-[2-(α-Hydrazonomethyl)-3-benzofuranyl]-p-toluene sulfonamide
• Formula: C17 H17 N3 O3 S
• Calculated formula: C17 H17 N3 O3 S
• SMILES: N/N=C(/c1oc2c(c1NS(=O)(=O)c1ccc(cc1)C)cccc2)C
• Title of publication: <i>N</i>-[2-(1-Hydrazonoethyl)-3-benzofuranyl]-<i>p</i>-toluenesulfonamide
• Authors of publication: Bachechi, F.; Coiro, V. M.; Delfini, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2915 - 2917
• a: 8.16 ± 0.002 Å
• b: 22.289 ± 0.004 Å
• c: 9.461 ± 0.002 Å
• α: 90°
• β: 96.51 ± 0.03°
• γ: 90°
• Cell volume: 1709.7 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0593
• Goodness-of-fit parameter for significantly intense reflections: 1.0785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No