Information card for entry 4513342

Structure parameters

• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: OC(=O)c1ccccc1Nc1c(cccc1)C
• Title of publication: Structure‒Polymorphism Study of Fenamates: Toward Developing an Understanding of the Polymorphophore
• Authors of publication: López-Mejías, Vilmalí; Matzger, Adam J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3955
• a: 11.7458 ± 0.0003 Å
• b: 7.41756 ± 0.00013 Å
• c: 26.4949 ± 0.0005 Å
• α: 90°
• β: 100.327 ± 0.001°
• γ: 90°
• Cell volume: 2270.98 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No