Information card for entry 7249166

Structure parameters

• Chemical name: 3-(4-chlorophenyl)-5-(p-tolyl)-6H-1,2-oxazin-6-one
• Formula: C17 H12 Cl N O2
• Calculated formula: C17 H12 Cl N O2
• Title of publication: Design, synthesis, and exploration of antibacterial activity of 6<i>H</i>-1,2-oxazin-6-ones.
• Authors of publication: Alcántar-Zavala, Eleazar; Delgado-Vargas, Francisco; Marín-González, Fabricio; Angulo, Gabriela López; Aguirre-Madrigal, Hugo Enrique; Ochoa-Terán, Adrián; Rodríguez-Vega, Gibrán; Aguirre-Hernández, Gerardo; Montes-Avila, Julio
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 33
• Pages of publication: 23828 - 23839
• a: 6.54533 ± 0.00013 Å
• b: 29.5464 ± 0.0005 Å
• c: 7.4552 ± 0.0002 Å
• α: 90°
• β: 101.691 ± 0.002°
• γ: 90°
• Cell volume: 1411.86 ± 0.05 ų
• Cell temperature: 294.1 ± 0.4 K
• Ambient diffraction temperature: 294.1 ± 0.4 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: 0.0554
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No