Information card for entry 2227477

Structure parameters

• Chemical name: 2-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone
• Formula: C9 H11 N3 O2 S
• Calculated formula: C9 H11 N3 O2 S
• SMILES: N(=C\c1c(O)cc(OC)cc1)/NC(=S)N
• Title of publication: 2-Hydroxy-4-methoxybenzaldehyde thiosemicarbazone
• Authors of publication: Hao, Yu-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2211
• a: 4.929 ± 0.001 Å
• b: 10.519 ± 0.002 Å
• c: 20.357 ± 0.003 Å
• α: 90°
• β: 92.838 ± 0.002°
• γ: 90°
• Cell volume: 1054.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No