Information card for entry 2225991

Structure parameters

• Chemical name: (<i>E</i>)-2,4-Dihydroxy-<i>N</i>'-(2-hydroxy-3-methoxy-5- nitrobenzylidene)benzohydrazide dihydrate
• Formula: C15 H17 N3 O9
• Calculated formula: C15 H17 N3 O9
• SMILES: Oc1cc(O)c(cc1)C(=O)N/N=C/c1c(O)c(OC)cc(N(=O)=O)c1.O.O
• Title of publication: (<i>E</i>)-2,4-Dihydroxy-<i>N</i>'-(2-hydroxy-3-methoxy-5-nitrobenzylidene)benzohydrazide dihydrate
• Authors of publication: Han, You-Yue; Li, Yong-Hong; Zhao, Qiu-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1085 - o1086
• a: 7.976 ± 0.002 Å
• b: 9.325 ± 0.002 Å
• c: 11.547 ± 0.003 Å
• α: 95.43 ± 0.02°
• β: 96.21 ± 0.02°
• γ: 102.01 ± 0.02°
• Cell volume: 829 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1459
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes