Information card for entry 2014070

Structure parameters

• Chemical name: 2-(4-Nitrophenoxy)benzoic acid
• Formula: C13 H9 N O5
• Calculated formula: C13 H9 N O5
• SMILES: c1(ccc(cc1)Oc1c(cccc1)C(=O)O)N(=O)=O
• Title of publication: 2-(4-Nitrophenoxy)benzoic acid: a three-dimensional hydrogen-bonded framework in a triclinic structure having <i>Z</i>' = 3
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o361 - o363
• a: 7.8495 ± 0.0006 Å
• b: 14.0847 ± 0.0015 Å
• c: 17.2325 ± 0.0018 Å
• α: 113.187 ± 0.004°
• β: 98.515 ± 0.006°
• γ: 96.4 ± 0.007°
• Cell volume: 1701.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.2344
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes