Information card for entry 7050462

Structure parameters

• Common name: 5-Nitrosalicylic acid
• Chemical name: 5-Nitrosalicylic acid
• Formula: C7 H5 N O5
• Calculated formula: C7 H5 N O5
• SMILES: N(=O)(=O)c1cc(c(O)cc1)C(=O)O
• Title of publication: Supramolecular synthesis of brick wall and honeycomb networks from the T-shaped molecule 5-nitrosalicylic acid
• Authors of publication: Senthil Kumar, V. S.; Nangia, Ashwini; Kirchner, Michael T.; Boese, Roland
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 224
• a: 5.201 ± 0.0007 Å
• b: 8.8753 ± 0.0013 Å
• c: 9.2841 ± 0.0013 Å
• α: 62.449 ± 0.002°
• β: 75.388 ± 0.002°
• γ: 81.657 ± 0.003°
• Cell volume: 367.47 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No