Information card for entry 2312062

Structure parameters

• Common name: 4-(3-Methoxyphenoxy)phthalonitrile
• Chemical name: 4-(3-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: 8.0609 ± 0.0003 Å
• b: 8.4672 ± 0.0004 Å
• c: 9.9999 ± 0.0004 Å
• α: 104.638 ± 0.001°
• β: 95.078 ± 0.001°
• γ: 110.57 ± 0.001°
• Cell volume: 606.31 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes