Information card for entry 7220744

Structure parameters

• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: O1C(=O)/C(=C/c2ccc(N(C)C)cc2)N=C1c1ccccc1
• Title of publication: [Et3NH][HSO4]-mediated functionalization of hippuric acid: an unprecedented approach to 4-arylidene-2-phenyl-5(4H)-oxazolones
• Authors of publication: Parveen, Mehtab; Ahmad, Faheem; Malla, Ali Mohammed; Azaz, Shaista; Silva, Manuela Ramos; Silva, P. S. Pereira
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.0978 ± 0.0003 Å
• b: 3.979 ± 0.0001 Å
• c: 15.5788 ± 0.0004 Å
• α: 90°
• β: 100.055 ± 0.001°
• γ: 90°
• Cell volume: 738.4 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No