Information card for entry 1571269

Structure parameters

• Chemical name: 4-Fluorobenzyl (<i>Z</i>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate
• Formula: C16 H12 F N3 O S2
• Calculated formula: C16 H12 F N3 O S2
• SMILES: S=C(SCc1ccc(F)cc1)N/N=C/1C(=O)Nc2c1cccc2
• Title of publication: 4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate
• Authors of publication: Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 3
• Pages of publication: x240235
• a: 6.7949 ± 0.0002 Å
• b: 6.9491 ± 0.0002 Å
• c: 16.708 ± 0.0008 Å
• α: 89.525 ± 0.003°
• β: 82.547 ± 0.003°
• γ: 82.347 ± 0.003°
• Cell volume: 775.26 ± 0.05 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2397
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No