Information card for entry 2235368

Structure parameters

• Chemical name: Cyclopropylammonium 4-iodobenzoate
• Formula: C10 H12 I N O2
• Calculated formula: C10 H12 I N O2
• SMILES: c1(ccc(cc1)I)C(=O)[O-].C1(CC1)[NH3+]
• Title of publication: Cyclopropylammonium 4-iodobenzoate
• Authors of publication: Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2096
• a: 30.7877 ± 0.0006 Å
• b: 9.7608 ± 0.0002 Å
• c: 7.4757 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2246.54 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes