Information card for entry 2201871

Structure parameters

• Chemical name: 3-Chlorobenzoxazolo[3,2-b]isoquinolin-6-one
• Formula: C15 H8 Cl N O2
• Calculated formula: C15 H8 Cl N O2
• SMILES: Clc1cc2c(OC3=Cc4ccccc4C(=O)N23)cc1
• Title of publication: 3-Chlorobenzoxazolo[3,2-<i>b</i>]isoquinolin-6-one
• Authors of publication: Anwar Usman; Lei Wang; Hoong-Kun Fun; Ke-Qing Ling; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o59 - o60
• a: 23.831 ± 0.002 Å
• b: 5.9716 ± 0.0006 Å
• c: 8.1549 ± 0.0008 Å
• α: 90°
• β: 95.195 ± 0.002°
• γ: 90°
• Cell volume: 1155.75 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0924
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes