Information card for entry 4509498

Structure parameters

• Common name: 4-Dimethylaminopyridinium fumarate-fumaric
• Chemical name: 4-dimethylaminopyridinium fumarate-fumaric acid
• Formula: C11 H14 N2 O4
• Calculated formula: C11 H14 N2 O4
• 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: 7.4036 ± 0.0013 Å
• b: 8.1567 ± 0.0014 Å
• c: 10.1469 ± 0.0017 Å
• α: 81.381 ± 0.003°
• β: 89.228 ± 0.003°
• γ: 70.789 ± 0.003°
• Cell volume: 571.68 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No