Information card for entry 2240100

Structure parameters

• Chemical name: <i>N</i>'-[(1<i>E</i>)-1-(6-Methyl-2,4-dioxo-3,4-dihydro-2<i>H</i>-pyran-3-ylidene)ethyl]benzenesulfonohydrazide
• Formula: C14 H14 N2 O5 S
• Calculated formula: C14 H14 N2 O5 S
• SMILES: c1ccccc1S(=O)(=O)NNC(=C1\C(=O)C=C(C)OC1=O)/C
• Title of publication: Crystal structure of <i>N</i>'-[(1<i>E</i>)-1-(6-methyl-2,4-dioxo-3,4-dihydro-2<i>H</i>-pyran-3-ylidene)ethyl]benzenesulfonohydrazide
• Authors of publication: Asegbeloyin, Jonnie N.; Ujam, Oguejiofo T.; Ngige, Chizoba M.; Onwukeme, Valentine I.; Groutso, Tania
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1179 - o1180
• a: 7.4797 ± 0.0004 Å
• b: 15.2458 ± 0.0007 Å
• c: 12.782 ± 0.0006 Å
• α: 90°
• β: 94.282 ± 0.003°
• γ: 90°
• Cell volume: 1453.51 ± 0.12 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 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 all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes