Information card for entry 8104985

Structure parameters

• Formula: C12 H11 Cl N2 O3 S
• Calculated formula: C12 H11 Cl N2 O3 S
• Title of publication: The crystal structure of N′-(2-chloro-6-hydroxybenzylidene)thiophene-2-carbohydrazide monohydrate, C12H11ClN2O3S
• Authors of publication: Yu, Haiyan; Wang, Meng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 147 - 148
• a: 4.7305 ± 0.0008 Å
• b: 21.252 ± 0.004 Å
• c: 13.134 ± 0.002 Å
• α: 90°
• β: 96.286 ± 0.002°
• γ: 90°
• Cell volume: 1312.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0922
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No