Information card for entry 2222713

Structure parameters

• Chemical name: 3,4,5-Trihydroxy-<i>N</i>'-[(1-methyl-1<i>H</i>-indol-2- yl)methylidene]benzohydrazide
• Formula: C17 H15 N3 O4
• Calculated formula: C17 H15 N3 O4
• SMILES: N(N=Cc1n(C)c2ccccc2c1)C(=O)c1cc(O)c(O)c(O)c1
• Title of publication: 3,4,5-Trihydroxy-<i>N</i>'-[(1-methyl-1<i>H</i>-indol-2-yl)methylidene]benzohydrazide
• Authors of publication: Khaledi, Hamid; Saharin, Siti Munirah; Mohd Ali, Hapipah; Robinson, Ward T.; Abdulla, Mahmood A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1920
• a: 9.0839 ± 0.0002 Å
• b: 13.1684 ± 0.0003 Å
• c: 12.4414 ± 0.0003 Å
• α: 90°
• β: 104.274 ± 0.001°
• γ: 90°
• Cell volume: 1442.3 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes