Information card for entry 2229463

Structure parameters

• Chemical name: (<i>E</i>)-7-(4-Chlorophenyl)-5,7-dihydro-4<i>H</i>- pyrano[3,4-<i>c</i>]isoxazole-3-carbaldehyde oxime
• Formula: C13 H11 Cl N2 O3
• Calculated formula: C13 H11 Cl N2 O3
• SMILES: Clc1ccc(C2OCCc3c(onc23)/C=N/O)cc1
• Title of publication: (<i>E</i>)-7-(4-Chlorophenyl)-5,7-dihydro-4<i>H</i>-pyrano[3,4-<i>c</i>]isoxazole-3-carbaldehyde oxime
• Authors of publication: Lim, Hyun Sub; Kim, Hyung Jin; Otgonbaatar, Enkhzul; Kwak, Chee-Hun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o671
• a: 32.748 ± 0.002 Å
• b: 8.8501 ± 0.0005 Å
• c: 8.6366 ± 0.0005 Å
• α: 90°
• β: 90.478 ± 0.002°
• γ: 90°
• Cell volume: 2503 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes