Information card for entry 2243757

Structure parameters

• Chemical name: <i>N</i>-[2-(4-Fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
• Formula: C22 H18 F N3 O4 S
• Calculated formula: C22 H18 F N3 O4 S
• SMILES: S=C(NC(=O)c1ccc(OC)cc1)NNC(=O)c1cc(Oc2ccccc2)c(F)cc1
• Title of publication: Structural investigation of <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
• Authors of publication: Dey, Dhananjay; Shruti, I.; Chopra, Deepak; Mohan, T. P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 3
• Pages of publication: 277 - 281
• a: 47.298 ± 0.003 Å
• b: 4.8054 ± 0.0003 Å
• c: 18.4939 ± 0.001 Å
• α: 90°
• β: 100.429 ± 0.006°
• γ: 90°
• Cell volume: 4134 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes