Information card for entry 2241311

Structure parameters

• Chemical name: (7-Fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate
• Formula: C15 H14 F N O3 S2
• Calculated formula: C15 H14 F N O3 S2
• SMILES: Fc1ccc2c(cc(=O)oc2c1)CSC(=S)N1CCOCC1
• Title of publication: Crystal structure of (7-fluoro-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate
• Authors of publication: Anitha, B. R.; Gunaseelan, A. Thomas; Vinduvahini, M.; Kavitha, H. D.; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o928 - o929
• a: 7.0285 ± 0.0003 Å
• b: 7.8845 ± 0.0003 Å
• c: 14.8151 ± 0.0006 Å
• α: 74.779 ± 0.002°
• β: 87.653 ± 0.002°
• γ: 74.241 ± 0.002°
• Cell volume: 762.01 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2574
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes