Information card for entry 2225630

Structure parameters

• Common name: alaptide
• Chemical name: (8<i>S</i>)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
• Formula: C9 H14 N2 O2
• Calculated formula: C9 H14 N2 O2
• SMILES: C[C@@H]1NC(=O)C2(NC1=O)CCCC2
• Title of publication: Alaptide from synchrotron powder diffraction data
• Authors of publication: Rohlíček, Jan; Maixner, Jaroslav; Pažout, Richard; Hušák, Michal; Cibulková, Jana; Kratochvíl, Bohumil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o821
• a: 21.14118 ± 0.00007 Å
• b: 7.22207 ± 0.00002 Å
• c: 6.1461 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 938.405 ± 0.006 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Cell measurement pressure: 101 kPa
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Goodness-of-fit parameter for all reflections: 3.9
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.79984 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes