Information card for entry 2201205

Structure parameters

• Chemical name: DL-methioninium maleate
• Formula: C9 H15 N O6 S
• Calculated formula: C9 H15 N O6 S
• SMILES: S(CCC([NH3+])C(=O)O)C.OC(=O)/C=C\C(=O)[O-]
• Title of publication: <small>DL</small>-Methioninium maleate
• Authors of publication: M. Alagar; M. Subha Nandhini; R. V. Krishnakumar; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o396 - o398
• a: 11.07 ± 0.002 Å
• b: 5.746 ± 0.005 Å
• c: 19.697 ± 0.014 Å
• α: 90 ± 0.07°
• β: 102.34 ± 0.03°
• γ: 90 ± 0.04°
• Cell volume: 1223.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes