Information card for entry 2222592

Structure parameters

• Chemical name: 2-(2-Naphthyloxy)pyrimidine
• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• SMILES: O(c1ncccn1)c1cc2ccccc2cc1
• Title of publication: 2-(2-Naphthyloxy)pyrimidine
• Authors of publication: Shah Bakhtiar, Nasir; Akmam A. Bakar, Maizathul; 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: o1881
• a: 13.0119 ± 0.0003 Å
• b: 22.4944 ± 0.0005 Å
• c: 7.5355 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.6 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes