Information card for entry 2218379

Structure parameters

• Chemical name: (<i>E</i>)-2-Hydroxy-3-methoxybenzaldehyde thiosemicarbazone
• Formula: C9 H11 N3 O2 S
• Calculated formula: C9 H11 N3 O2 S
• SMILES: S=C(N/N=C/c1c(O)c(OC)ccc1)N
• Title of publication: (<i>E</i>)-2-Hydroxy-3-methoxybenzaldehyde thiosemicarbazone
• Authors of publication: Zhao, Ren-Gao; Zhang, Wei; Li, Ji-Kun; Zhang, Li-Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1113
• a: 7.057 ± 0.003 Å
• b: 14.673 ± 0.005 Å
• c: 10.738 ± 0.004 Å
• α: 90°
• β: 108.412 ± 0.007°
• γ: 90°
• Cell volume: 1055 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.1226
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes