Information card for entry 2012867

Structure parameters

• Common name: Cilostazol
• Chemical name: 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one
• Formula: C20 H27 N5 O2
• Calculated formula: C20 H27 N5 O2
• SMILES: O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1
• Title of publication: Polymorphic forms of cilostazol
• Authors of publication: Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o525 - o527
• a: 5.148 ± 0.001 Å
• b: 10.739 ± 0.001 Å
• c: 35.279 ± 0.001 Å
• α: 90°
• β: 94.07 ± 0.001°
• γ: 90°
• Cell volume: 1945.5 ± 0.4 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 4.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.621
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes