Information card for entry 2239631

Structure parameters

• Chemical name: (<i>E</i>)-3-Chloro-<i>N</i>'-(2-fluorobenzylidene)thiophene-2-carbohydrazide
• Formula: C12 H8 Cl F N2 O S
• Calculated formula: C12 H8 Cl F N2 O S
• SMILES: Fc1ccccc1/C=N/NC(=O)c1sccc1Cl
• Title of publication: (<i>E</i>)-3-Chloro-<i>N</i>'-(2-fluorobenzylidene)thiophene-2-carbohydrazide
• Authors of publication: Sultan, Sadia; Taha, Muhammad; Shah, Syed Adnan Ali; Yamin, Bohari M.; Zaki, Hamizah Mohd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o751
• a: 5.6833 ± 0.0003 Å
• b: 13.0817 ± 0.0006 Å
• c: 16.4001 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1219.3 ± 0.1 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 7
• 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: 0.0231
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes