Information card for entry 2017699

Structure parameters

• Common name: acetoguanaminium hydrogen maleate
• Chemical name: 2,4-diamino-6-methyl-1,3,5-triazin-1-ium hydrogen maleate
• Formula: C8 H11 N5 O4
• Calculated formula: C8 H11 N5 O4
• SMILES: [nH+]1c(N)nc(N)nc1C.[O-]C(=O)/C=C\C(=O)O
• Title of publication: Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate
• Authors of publication: Thanigaimani, Kaliyaperumal; Devi, Periasamy; Muthiah, Packianathan Thomas; Lynch, Daniel E.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o324 - o328
• a: 7.1921 ± 0.0003 Å
• b: 8.2359 ± 0.0003 Å
• c: 9.4775 ± 0.0004 Å
• α: 98.287 ± 0.002°
• β: 104.656 ± 0.002°
• γ: 91.032 ± 0.003°
• Cell volume: 536.58 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.075
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes