Information card for entry 2230521

Structure parameters

• Chemical name: <i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan- 7-yl}-4-methylbenzamide
• Formula: C24 H26 F N3 O4
• Calculated formula: C24 H26 F N3 O4
• SMILES: Fc1ccc(OCCN2C(=O)N[C@@]3(C2=O)C[C@H](NC(=O)c2ccc(cc2)C)CCC3)cc1.Fc1ccc(OCCN2C(=O)N[C@]3(C2=O)C[C@@H](NC(=O)c2ccc(cc2)C)CCC3)cc1
• Title of publication: <i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl}-4-methylbenzamide
• Authors of publication: Vinduvahini, M.; Saha, Binoy Krishna; Mahalakhmi; Revanasiddappa, H. D.; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1440 - o1441
• a: 9.1436 ± 0.0017 Å
• b: 10.103 ± 0.002 Å
• c: 13.939 ± 0.002 Å
• α: 99.239 ± 0.015°
• β: 106.55 ± 0.014°
• γ: 107.417 ± 0.018°
• Cell volume: 1134.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes