Information card for entry 2205426

Structure parameters

• Chemical name: 3-Hydroxysalicylaldehyde 2-thienoylhydrazone
• Formula: C12 H10 N2 O3 S
• Calculated formula: C12 H10 N2 O3 S
• SMILES: s1c(C(=O)N/N=C/c2c(O)c(O)ccc2)ccc1
• Title of publication: 3-Hydroxysalicylaldehyde 2-thienoylhydrazone
• 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: o1083 - o1084
• a: 7.994 ± 0.001 Å
• b: 11.99 ± 0.002 Å
• c: 24.787 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2375.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.121
• 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