Information card for entry 2222591

Structure parameters

• Chemical name: 2-(<i>o</i>-Tolyloxy)pyrimidine
• Formula: C11 H10 N2 O
• Calculated formula: C11 H10 N2 O
• SMILES: O(c1ncccn1)c1ccc(cc1)C
• Title of publication: 2-(<i>p</i>-Tolyloxy)pyrimidine
• Authors of publication: Shah Bakhtiar, Nasir; Abdullah, Zanariah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1859
• a: 11.2918 ± 0.0002 Å
• b: 7.2275 ± 0.0001 Å
• c: 23.3359 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1904.48 ± 0.06 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes