Information card for entry 2222590

Structure parameters

• Chemical name: 2-(<i>o</i>-Tolyloxy)pyrimidine
• Formula: C11 H10 N2 O
• Calculated formula: C11 H10 N2 O
• SMILES: Cc1ccccc1Oc1ncccn1
• Title of publication: 2-(<i>o</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: o1880
• a: 7.5197 ± 0.0002 Å
• b: 12.7997 ± 0.0003 Å
• c: 20.3238 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1956.16 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes