Information card for entry 2201610

Structure parameters

• Formula: C16 H9 N O3
• Calculated formula: C16 H9 N O3
• SMILES: o1c(=O)c(cc2ccccc12)c1oc2ccccc2n1
• Title of publication: 3-(Benzoxazol-2-yl)cromem-2-one
• Authors of publication: Guilardi, Silvana; Machado, Antonio Eduardo da Hora; Resende, Jackson Antônio Lamounier Camargos; Franca, Eduardo de Faria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o985 - o987
• a: 7.493 ± 0.005 Å
• b: 21.276 ± 0.005 Å
• c: 8.024 ± 0.005 Å
• α: 90°
• β: 113.508 ± 0.005°
• γ: 90°
• Cell volume: 1173 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes