Information card for entry 7224596

Structure parameters

• Chemical name: N1-(2-carboxyphenyl)-N2-(4-bromophenyl)oxalamide
• Formula: C15 H11 Br N2 O4
• Calculated formula: C15 H11 Br N2 O4
• SMILES: c1cc(Br)ccc1NC(=O)C(=O)Nc1c(C(=O)O)cccc1
• Title of publication: A novel acid-catalyzed rearrangement of 2-substituted-3-(2-nitrophenyl)oxiranes for the synthesis of di- and mono-oxalamides
• Authors of publication: Mamedov, Vakhid A.; Mamedova, Vera L.; Khikmatova, Gul’nas Z.; Mironova, Ekaterina V.; Krivolapov, Dmitry; Bazanova, Olga B.; Chachkov, Denis V.; Katsyuba, Sergey; Rizvanov, Ildar Kh.; Latypov, Shamil Kamil'evich
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.555 ± 0.003 Å
• b: 11.21 ± 0.003 Å
• c: 15.335 ± 0.004 Å
• α: 108.324 ± 0.003°
• β: 97.068 ± 0.004°
• γ: 105.848 ± 0.004°
• Cell volume: 1460.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No