Information card for entry 2214131

Structure parameters

• Chemical name: 3-(2-Chlorophenyl)-N-methylisoxazole-5-carboxamide
• Formula: C11 H9 Cl N2 O2
• Calculated formula: C11 H9 Cl N2 O2
• SMILES: Clc1c(c2noc(C(=O)NC)c2)cccc1
• Title of publication: 3-(2-Chlorophenyl)-<i>N</i>-methylisoxazole-5-carboxamide
• Authors of publication: Xin-Hong Chang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3074 - o3074
• a: 18.722 ± 0.004 Å
• b: 31.454 ± 0.006 Å
• c: 7.2137 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4248 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes