Information card for entry 7239442

Structure parameters

• Formula: C13 H11 N O2
• Calculated formula: C13 H11 N O2
• Title of publication: Divergent reactivities of o-haloanilides with CuO nanoparticles in water: a green synthesis of benzoxazoles and o-hydroxyanilides
• Authors of publication: Khatun, Nilufa; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 21
• Pages of publication: 10770
• a: 10.9246 ± 0.001 Å
• b: 7.0228 ± 0.0006 Å
• c: 14.1338 ± 0.0012 Å
• α: 90°
• β: 90.645 ± 0.006°
• γ: 90°
• Cell volume: 1084.29 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1433
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No