Information card for entry 2208862

Structure parameters

• Chemical name: (Z)-5-Chlorofuran-2-carbaldehyde oxime
• Formula: C5 H4 Cl N O2
• Calculated formula: C5 H4 Cl N O2
• SMILES: Clc1oc(cc1)/C=N\O
• Title of publication: (<i>Z</i>)-5-Chlorofuran-2-carbaldehyde oxime
• Authors of publication: Xi-Zhao Wang; Jiong Jia; Jian-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2086 - o2087
• a: 9.394 ± 0.003 Å
• b: 5.0879 ± 0.0015 Å
• c: 12.87 ± 0.004 Å
• α: 90°
• β: 102.301 ± 0.004°
• γ: 90°
• Cell volume: 601 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes