Information card for entry 2229213

Structure parameters

• Chemical name: 8-[(Hydrazinylidene)methyl]-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate
• Formula: C18 H16 N2 O5 S
• Calculated formula: C18 H16 N2 O5 S
• SMILES: S(=O)(=O)(Oc1c(/C=N/N)c2oc(=O)cc(c2cc1)C)c1ccc(cc1)C
• Title of publication: 8-[(Hydrazinylidene)methyl]-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate
• Authors of publication: Yuvaraj, H.; Gayathri, D.; Kalkhambkar, Rajesh G.; Kulkarni, G. M.; Bapset, Rajendra M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o323
• a: 9.1947 ± 0.0003 Å
• b: 16.1867 ± 0.0004 Å
• c: 11.6538 ± 0.0003 Å
• α: 90°
• β: 99.67 ± 0.001°
• γ: 90°
• Cell volume: 1709.81 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes