Information card for entry 2236901

Structure parameters

• Chemical name: 4-Nitrophenyl 4-hydroxy-3-methylbenzoate
• Formula: C14 H11 N O5
• Calculated formula: C14 H11 N O5
• SMILES: Oc1c(C)cc(cc1)C(=O)Oc1ccc(N(=O)=O)cc1
• Title of publication: 4-Nitrophenyl 4-hydroxy-3-methylbenzoate
• Authors of publication: Sreenivasa, S.; Devarajegowda, H. C.; Srinivasa, H. T.; Kumar, Vijith; Palakshamurthy, B. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3490
• a: 42.313 ± 0.006 Å
• b: 8.0047 ± 0.0011 Å
• c: 16.1078 ± 0.0018 Å
• α: 90°
• β: 105.819 ± 0.004°
• γ: 90°
• Cell volume: 5249.1 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes