Information card for entry 2240441

Structure parameters

• Common name: 2-Methylpiperazine-1,4-diium bis(hydrogen maleate)
• Chemical name: 2-Methylpiperazine-1,4-diium bis(<i>cis</i>-3-carboxyprop-2-enoate)
• Formula: C13 H20 N2 O8
• Calculated formula: C13 H20 N2 O8
• SMILES: [NH2+]1C(C[NH2+]CC1)C.O=C(O)/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)O
• Title of publication: Crystal structure of 2-methylpiperazine-1,4-diium bis(hydrogen maleate)
• Authors of publication: Wecharine, Intissar; Valkonen, Arto; Rzaigui, Mohamed; Smirani Sta, Wajda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o193 - o194
• a: 11.4678 ± 0.0009 Å
• b: 11.4919 ± 0.0009 Å
• c: 13.3404 ± 0.0013 Å
• α: 71.692 ± 0.008°
• β: 75.572 ± 0.008°
• γ: 74.303 ± 0.007°
• Cell volume: 1580.7 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes