Information card for entry 2312061

Structure parameters

• Common name: 4-(2-Methoxyphenoxy)phthalonitrile
• Chemical name: 4-(2-Methoxyphenoxy)benzene-1,2-dicarbonitrile
• Formula: C15 H10 N2 O2
• Calculated formula: C15 H10 N2 O2
• Title of publication: Crystal structures of 4-(2/3-meth-oxy-phen-oxy)phthalo-nitrile.
• Authors of publication: Erzunov, Dmitry; Rassolova, Anastasia; Rumyantsev, Roman; Maizlish, Vladimir; Tikhomirova, Tatiana; Vashurin, Arthur
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 3
• Pages of publication: 172 - 176
• a: 7.7329 ± 0.0003 Å
• b: 8.2536 ± 0.0003 Å
• c: 19.2301 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1227.35 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes