Information card for entry 7224597

Structure parameters

• Chemical name: N1-(2-carboxyphenyl)-N2-phenyloxalamide
• Formula: C17 H16 N2 O6
• Calculated formula: C17 H16 N2 O6
• SMILES: O=C(Nc1c(cccc1)C(=O)O)C(=O)Nc1ccccc1.O=C(O)C
• 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: 15.397 ± 0.015 Å
• b: 4.991 ± 0.005 Å
• c: 20.26 ± 0.02 Å
• α: 90°
• β: 97.672 ± 0.013°
• γ: 90°
• Cell volume: 1543 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No