Information card for entry 2234958

Structure parameters

• Chemical name: 1-{[(2,3-Dihydro-1<i>H</i>-inden-2-yl)oxy]methyl}quinazoline- 2,4(1<i>H</i>,3<i>H</i>)-dione
• Formula: C18 H16 N2 O3
• Calculated formula: C18 H16 N2 O3
• SMILES: C1(Cc2ccccc2C1)OCN1C(=O)NC(=O)c2ccccc12
• Title of publication: 1-{[(2,3-Dihydro-1<i>H</i>-inden-2-yl)oxy]methyl}quinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: El-Brollosy, Nasser R.; Dege, Necmi; Demirtaş, Güneş; Attia, Mohamed I.; El-Emam, Ali A.; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1866 - o1867
• a: 7.6684 ± 0.0008 Å
• b: 10.0717 ± 0.001 Å
• c: 10.6748 ± 0.0011 Å
• α: 87.199 ± 0.008°
• β: 78.332 ± 0.008°
• γ: 70.569 ± 0.008°
• Cell volume: 761.28 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0803
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes