Information card for entry 4509497

Structure parameters

• Common name: 4-dimethylaminopyridinium isophthalate
• Chemical name: 4-dimethylaminopyridinium isophthalate
• Formula: C11 H13 N2 O2
• Calculated formula: C11 H13 N2 O2
• Title of publication: Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids
• Authors of publication: Mohamed, Sharmarke; Tocher, Derek A.; Vickers, Martin; Karamertzanis, Panagiotis G.; Price, Sarah L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2881
• a: 18.07 ± 0.003 Å
• b: 31.806 ± 0.005 Å
• c: 6.8941 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3962.3 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No