Information card for entry 2212190

Structure parameters

• Chemical name: (2-Ethoxyphenyl)[4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl]methanone
• Formula: C21 H21 F N2 O3
• Calculated formula: C21 H21 F N2 O3
• SMILES: Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)c1c(OCC)cccc1
• Title of publication: (2-Ethoxyphenyl)[4-(6-fluorobenzo[<i>d</i>]isoxazol-3-yl)piperidin-1-yl]methanone
• Authors of publication: Naveen, S.; Basappa; Sridhar, M. A.; Shashidhara Prasad, J.; Rangappa, K. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o642 - o643
• a: 7.029 ± 0.006 Å
• b: 9.851 ± 0.007 Å
• c: 14.12 ± 0.002 Å
• α: 107.125 ± 0.005°
• β: 94.622 ± 0.005°
• γ: 100.513 ± 0.005°
• Cell volume: 909.2 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No