Information card for entry 2225348

Structure parameters

• Chemical name: 2-Phenylimidazolium acetate
• Formula: C11 H12 N2 O2
• Calculated formula: C11 H12 N2 O2
• SMILES: c1(ccccc1)c1[nH]cc[nH+]1.C(=O)(C)[O-]
• Title of publication: 2-Phenylimidazolium acetate
• Authors of publication: Xia, Dao-Cheng; Yao, Ji-Huan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o649
• a: 10.032 ± 0.0006 Å
• b: 11.0043 ± 0.0007 Å
• c: 19.3936 ± 0.0009 Å
• α: 90°
• β: 97.982 ± 0.005°
• γ: 90°
• Cell volume: 2120.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes