Information card for entry 2312525

Structure parameters

• Common name: Bis(2-amino-3-methylpyridinium) fumarate dihydrate
• Chemical name: Bis(2-amino-3-methylpyridin-1-ium) (2<i>E</i>)-but-2-enedioate dihydrate
• Formula: C16 H24 N4 O6
• Calculated formula: C16 H24 N4 O6
• Title of publication: Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study.
• Authors of publication: Balasubramanian, Hemalatha; Ashraf, Aarifa Muhammed; Karuppannan, Srikanth; Poomani, Kumaradhas
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 7
• Pages of publication: 302 - 310
• a: 6.8383 ± 0.0002 Å
• b: 7.2272 ± 0.0002 Å
• c: 9.7427 ± 0.0002 Å
• α: 82.921 ± 0.001°
• β: 76.809 ± 0.001°
• γ: 82.043 ± 0.001°
• Cell volume: 462.18 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes