Information card for entry 2208048

Structure parameters

• Chemical name: 4-(2-formylphenoxy)phtalonitrile
• Formula: C15 H8 N2 O2
• Calculated formula: C15 H8 N2 O2
• SMILES: C(#N)c1c(C#N)ccc(c1)Oc1ccccc1C=O
• Title of publication: 4-(2-Formylphenoxy)phthalonitrile
• Authors of publication: Kartal, Aslı; Ocak Ískeleli, Nazan; Albayrak, Çiğdem; Ağar, Erbil; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o548 - o549
• a: 23.0524 ± 0.0016 Å
• b: 8.1639 ± 0.0008 Å
• c: 15.3994 ± 0.0011 Å
• α: 90°
• β: 120.621 ± 0.005°
• γ: 90°
• Cell volume: 2494 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes