Information card for entry 2227978

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2,3,4-Trihydroxybenzylidene)isonicotinohydrazide dihydrate
• Formula: C13 H15 N3 O6
• Calculated formula: C13 H15 N3 O6
• SMILES: O=C(N/N=C/c1c(O)c(O)c(O)cc1)c1ccncc1.O.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(2,3,4-Trihydroxybenzylidene)isonicotinohydrazide dihydrate
• Authors of publication: Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3017 - o3018
• a: 6.9504 ± 0.0005 Å
• b: 19.9077 ± 0.0013 Å
• c: 10.093 ± 0.0007 Å
• α: 90°
• β: 106.416 ± 0.002°
• γ: 90°
• Cell volume: 1339.6 ± 0.16 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: 0.0481
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes