Information card for entry 2019074

Structure parameters

• Chemical name: Bis(2-aminopyridinium) fumarate‒fumaric acid (1/1)
• Formula: C18 H20 N4 O8
• Calculated formula: C18 H20 N4 O8
• SMILES: c1(cccc[nH+]1)N.C(=C\C(=O)[O-])/C(=O)[O-].C(=C\C(=O)O)/C(=O)O.c1(cccc[nH+]1)N
• Title of publication: A new polymorph of bis(2-aminopyridinium) fumarate‒fumaric acid (1/1) from powder X-ray diffraction
• Authors of publication: Dong, Shuichao; Tao, Yaqiu; Shen, Xiaodong; Pan, Zhigang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: 896 - 900
• a: 3.81686 ± 0.00007 Å
• b: 9.6064 ± 0.0003 Å
• c: 13.3605 ± 0.0004 Å
• α: 94.2974 ± 0.0015°
• β: 91.7433 ± 0.0014°
• γ: 91.7169 ± 0.0014°
• Cell volume: 488.02 ± 0.02 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 1.45
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No