Information card for entry 2225905

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2,4,6-Trihydroxybenzylidene)isonicotinohydrazide sesquihydrate
• Formula: C13 H14 N3 O5.5
• Calculated formula: C13 H14 N3 O5.5
• Title of publication: (<i>E</i>)-<i>N</i>'-(2,4,6-Trihydroxybenzylidene)isonicotinohydrazide sesquihydrate
• Authors of publication: Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Loh, Wan-Sin; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1202 - o1203
• a: 8.4639 ± 0.0001 Å
• b: 13.2279 ± 0.0002 Å
• c: 13.4363 ± 0.0002 Å
• α: 90°
• β: 120.037 ± 0.001°
• γ: 90°
• Cell volume: 1302.3 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0557
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1389
• 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