Information card for entry 2204823

Structure parameters

• Chemical name: 5-(2-Chlorobenzoyl)-1,3-benzoxazol-2(3H)-one
• Formula: C14 H8 Cl N O3
• Calculated formula: C14 H8 Cl N O3
• SMILES: Clc1c(C(=O)c2cc3NC(=O)Oc3cc2)cccc1
• Title of publication: 5-(2-Chlorobenzoyl)-1,3-benzoxazol-2(3<i>H</i>)-one
• Authors of publication: Şamil Işık; Yavuz Köysal; Metin Yavuz; Merç Köksal; Hakkı Erdog̃an
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2321 - o2323
• a: 10.455 ± 0.0009 Å
• b: 7.8954 ± 0.0004 Å
• c: 14.796 ± 0.0012 Å
• α: 90°
• β: 93.724 ± 0.007°
• γ: 90°
• Cell volume: 1218.78 ± 0.16 ų
• Cell temperature: 293 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes