Information card for entry 8105185

Structure parameters

• Formula: C13 H11 Cl N2 O2 S
• Calculated formula: C13 H11 Cl N2 O2 S
• SMILES: c1ccc(C(=O)N/N=C(\C)c2c(ccc(c2)Cl)O)s1
• Title of publication: Crystal structure of (E)-N′-(1-(5-chloro-2-hydroxyphenyl) ethylidene)thiophene-2-carbohydrazide, C13H11ClN2O2S
• Authors of publication: Li, Cui-Cui; Zhang, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 223 - 224
• a: 33.781 ± 0.004 Å
• b: 5.2087 ± 0.0006 Å
• c: 7.2979 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1284.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No