Information card for entry 8102785

Structure parameters

• Chemical name: 4-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
• Formula: C13 H9 F N2 O4
• Calculated formula: C13 H9 F N2 O4
• SMILES: C(=O)(Nc1cc(N(=O)=O)ccc1O)c1ccc(F)cc1
• Title of publication: Crystal structure of 4-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide, C13H9FN2O4
• Authors of publication: Janina Karolak-Wojciechowska; Ma»gorzata Szczesio; Tuba Ertan-Bolelli; Esin Aki; Ismail Yalçin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 533
• a: 7.3477 ± 0.0007 Å
• b: 7.7697 ± 0.0009 Å
• c: 21.295 ± 0.003 Å
• α: 90°
• β: 99.254 ± 0.011°
• γ: 90°
• Cell volume: 1199.9 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0414
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No