Information card for entry 7239443

Structure parameters

• Formula: C14 H10 Br N O
• Calculated formula: C14 H10 Br N O
• 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: 10.3512 ± 0.0008 Å
• b: 14.0265 ± 0.0011 Å
• c: 12.8571 ± 0.001 Å
• α: 90°
• β: 105.177 ± 0.005°
• γ: 90°
• Cell volume: 1801.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1695
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No