Information card for entry 4517003

Structure parameters

• Common name: Crystal_OP18
• Chemical name: N'[(1E)-(4-methoxyphenyl)methylidene]benzenesulfonohydrazide
• Formula: C14 H14 N2 O3 S
• Calculated formula: C14 H14 N2 O3 S
• Title of publication: Environmentally Safe Condition for the Synthesis of Aryl and Alkyl Sulfonyl Hydrazones via One-Pot Reaction
• Authors of publication: Cunha, Micael R.; Tavares, Maurício T.; Carvalho, Camila F.; Silva, Nuno A. T.; Souza, Alfredo D. F.; Pereira, Gustavo J. V.; Ferreira, Fábio F.; Parise-Filho, Roberto
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1899
• a: 11.5414 ± 0.0003 Å
• b: 12.288 ± 0.0006 Å
• c: 10.9161 ± 0.0005 Å
• α: 90°
• β: 115.252 ± 0.002°
• γ: 90°
• Cell volume: 1400.19 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Ambient diffracton pressure: 100 kPa
• 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 R(I) for significantly intense reflections: 0.0295
• Goodness-of-fit parameter for all reflections: 1.637
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No