Information card for entry 4509495

Structure parameters

• Common name: 4-dimethylaminopyridinium maleate
• Chemical name: 4-dimethylaminopyridinium maleate
• Formula: C11 H14 N2 O4
• Calculated formula: C11 H14 N2 O4
• SMILES: C(=O)(/C=C\C(=O)O)[O-].N(C)(C)c1cc[nH+]cc1
• 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: 13.127 ± 0.003 Å
• b: 7.599 ± 0.002 Å
• c: 12.576 ± 0.003 Å
• α: 90°
• β: 114.237 ± 0.004°
• γ: 90°
• Cell volume: 1143.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No