Information card for entry 1542452

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide
• Formula: C16 H21 F N2 O3 S
• Calculated formula: C16 H21 F N2 O3 S
• SMILES: S(=O)(=O)(/N=C(N1CCOCC1)\C1CCCC1)c1ccc(F)cc1
• Title of publication: (<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide
• Authors of publication: Efimov, Ilya; Slepukhin, Pavel; Beliaev, Nikolai; Bakulev, Vasiliy
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x160013
• a: 11.5613 ± 0.0007 Å
• b: 16.4245 ± 0.0013 Å
• c: 8.873 ± 0.0006 Å
• α: 90°
• β: 107.768 ± 0.006°
• γ: 90°
• Cell volume: 1604.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes