Information card for entry 2234940

Structure parameters

• Chemical name: 2-Phenoxy-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one
• Formula: C15 H10 N4 O2
• Calculated formula: C15 H10 N4 O2
• SMILES: O=C1Nc2n(nc(Oc3ccccc3)n2)c2c1cccc2
• Title of publication: 2-Phenoxy-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one
• Authors of publication: Al-Salahi, Rashad; Nabih, Lolak; Al-Omar, Mohamed; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1808
• a: 5.6985 ± 0.0002 Å
• b: 8.4328 ± 0.0004 Å
• c: 13.4322 ± 0.0007 Å
• α: 74.087 ± 0.004°
• β: 86.623 ± 0.004°
• γ: 89.284 ± 0.004°
• Cell volume: 619.66 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes