Information card for entry 2230763

Structure parameters

• Chemical name: 2-Benzyloxy-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one
• Formula: C16 H12 N4 O2
• Calculated formula: C16 H12 N4 O2
• Title of publication: 2-Benzyloxy-1,2,4-triazolo[1,5-<i>a</i>]quinazolin-5(4<i>H</i>)-one
• Authors of publication: Al-Salahi, Rashad; Detlef, Geffken; Ahmed, Bari
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1861
• a: 5.0319 ± 0.0015 Å
• b: 28.207 ± 0.009 Å
• c: 9.408 ± 0.003 Å
• α: 90°
• β: 99.503 ± 0.005°
• γ: 90°
• Cell volume: 1317 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes