Information card for entry 2231510

Structure parameters

• Chemical name: 3,4,5-Trihydroxybenzohydrazide
• Formula: C7 H8 N2 O4
• Calculated formula: C7 H8 N2 O4
• SMILES: Oc1c(O)c(O)cc(c1)C(=O)NN
• Title of publication: 3,4,5-Trihydroxybenzohydrazide
• Authors of publication: Ashiq, Uzma; Ara Jamal, Rifat; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2462
• a: 3.7307 ± 0.0003 Å
• b: 22.8402 ± 0.0018 Å
• c: 8.7064 ± 0.0007 Å
• α: 90°
• β: 93.29 ± 0.002°
• γ: 90°
• Cell volume: 740.65 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes