Information card for entry 2220378

Structure parameters

• Chemical name: 3,4,5-Trihydroxy-<i>N</i>'-(1<i>H</i>-indol-3-ylmethylidene)benzohydrazide pentahydrate
• Formula: C16 H23 N3 O9
• Calculated formula: C16 H23 N3 O9
• SMILES: Oc1cc(cc(O)c1O)C(=O)NN=Cc1c[nH]c2c1cccc2.O.O.O.O.O
• Title of publication: 3,4,5-Trihydroxy-<i>N</i>'-(1<i>H</i>-indol-3-ylmethylidene)benzohydrazide pentahydrate
• Authors of publication: Khaledi, Hamid; Mohd Ali, Hapipah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2481
• a: 7.4379 ± 0.0002 Å
• b: 9.1178 ± 0.0002 Å
• c: 14.1966 ± 0.0003 Å
• α: 103.814 ± 0.001°
• β: 103.716 ± 0.001°
• γ: 90.613 ± 0.002°
• Cell volume: 905.95 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes