Information card for entry 2205421

Structure parameters

• Chemical name: 3-Hydroxysalicylaldehyde 2-furoylhydrazone
• Formula: C12 H10 N2 O4
• Calculated formula: C12 H10 N2 O4
• SMILES: Oc1c(O)c(ccc1)/C=N/NC(=O)c1occc1
• Title of publication: 3-Hydroxysalicylaldehyde 2-furoylhydrazone
• Authors of publication: Ali, Hapipah M.; Puvaneswary, Subramaniam; Basirun, Wan Jefri; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1079 - o1080
• a: 11.2143 ± 0.0008 Å
• b: 9.373 ± 0.0007 Å
• c: 11.4149 ± 0.0009 Å
• α: 90°
• β: 109.12 ± 0.001°
• γ: 90°
• Cell volume: 1133.65 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes