Information card for entry 2017597

Structure parameters

• Chemical name: 5-chloropyridin-2-amine–(2<i>E</i>)-but-2-enedioate (2/1)
• Formula: C14 H14 Cl2 N4 O4
• Calculated formula: C14 H14 Cl2 N4 O4
• SMILES: Nc1ccc(cn1)Cl.Nc1ccc(cn1)Cl.OC(=O)/C=C/C(=O)O
• Title of publication: Hydrogen-bonded networks in 5-chloropyridin-2-amine–fumaric acid (2/1) and 2-aminopyridinium <small>DL</small>-malate
• Authors of publication: Perpétuo, Genivaldo Julio; Janczak, Jan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o225 - o228
• a: 13.806 ± 0.003 Å
• b: 5.066 ± 0.001 Å
• c: 11.705 ± 0.002 Å
• α: 90°
• β: 102.87 ± 0.03°
• γ: 90°
• Cell volume: 798.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes