Information card for entry 7239387

Structure parameters

• Chemical name: 2-(4-bromophenyl)-5-ethyl-6-methyl-4H-thieno[2,3-d][1,3]oxazin-4-one
• Formula: C15 H12 Br N O2 S
• Calculated formula: C15 H12 Br N O2 S
• Title of publication: Synthesis, structural properties, and pharmacological evaluation of 2-(acylamino)thiophene-3-carboxamides and analogues thereof
• Authors of publication: Mugnaini, Claudia; Pedani, Valentina; Giunta, Daniela; Sechi, Barbara; Solinas, Maurizio; Casti, Alberto; Castelli, Maria Paola; Giorgi, Gianluca; Corelli, Federico
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1782
• a: 7.6917 ± 0.0005 Å
• b: 7.9492 ± 0.0006 Å
• c: 13.3098 ± 0.0007 Å
• α: 86.424 ± 0.005°
• β: 87.503 ± 0.005°
• γ: 63 ± 0.008°
• Cell volume: 723.58 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No