Information card for entry 2212142

Structure parameters

• Chemical name: 4-(2-methoxyphenoxy)phthalonitrile
• Formula: C15 H10 N2 O2
• Calculated formula: C15 H10 N2 O2
• SMILES: C(#N)c1c(C#N)ccc(c1)Oc1ccccc1OC
• Title of publication: 4-(2-Methoxyphenoxy)phthalonitrile
• Authors of publication: Ag̃ar, Ayşen; Ocak Ískeleli, Nazan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o712 - o713
• a: 7.79 ± 0.006 Å
• b: 8.329 ± 0.004 Å
• c: 19.575 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1270.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes