Information card for entry 2216994

Structure parameters

• Chemical name: 3,4-Dihydroxy-N'-(2-hydroxybenzylidene)benzohydrazide‒\ methanol‒water (2/1/3)
• Formula: C14.5 H17 N2 O6
• Calculated formula: C14.5 H17 N2 O6
• SMILES: Oc1cc(ccc1O)C(=O)N/N=C/c1c(O)cccc1.OC.O.O
• Title of publication: 3,4-Dihydroxy-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide‒methanol‒water (2/1/3)
• Authors of publication: Hong-Bo Ma; Shan-Shan Huang; Yun-Peng Diao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o210 - o210
• a: 10.707 ± 0.002 Å
• b: 11.994 ± 0.002 Å
• c: 14.103 ± 0.003 Å
• α: 111.56 ± 0.03°
• β: 103.13 ± 0.03°
• γ: 104.72 ± 0.03°
• Cell volume: 1522.2 ± 0.8 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: 0.1424
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes