Information card for entry 8106133

Structure parameters

• Formula: C17 H23 N3 O5 S
• Calculated formula: C17 H23 N3 O5 S
• Title of publication: Crystal Structure of ethyl (E)-2,4-dimethyl-5-((2-tosylhydrazono)methyl)-1H-pyrrole-3-carboxylate monohydrate, C17H23N3O5
• Authors of publication: Lu, Zhongliang; Ren, Jingzhang; Wu, Wei-Na
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 303 - 305
• a: 12.8132 ± 0.0012 Å
• b: 21.4531 ± 0.0019 Å
• c: 15.3438 ± 0.0014 Å
• α: 90°
• β: 114.308 ± 0.002°
• γ: 90°
• Cell volume: 3843.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1251
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No