Information card for entry 2211070

Structure parameters

• Chemical name: N-(2-Acetoxythiophene)(2-hydroxy-3-methoxybenzylidene)hydrazide monohydrate
• Formula: C13 H14 N2 O4 S
• Calculated formula: C13 H14 N2 O4 S
• SMILES: s1cccc1C(=O)N/N=C/c1c(O)c(OC)ccc1.O
• Title of publication: <i>N</i>-(2-Hydroxy-3-methoxybenzylidene)-<i>N</i>'-(2-thienylcarbonyl)hydrazine monohydrate
• Authors of publication: Jing, Zuo-Liang; Zhang, Qiao-Zhen; Yu, Ming; Chen, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4894 - o4895
• a: 4.8349 ± 0.0015 Å
• b: 12.89 ± 0.004 Å
• c: 22.123 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1378.7 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes