Information card for entry 1520232

Structure parameters

• Chemical name: DL-Tartaric acid & 4-Methylimidazole hydrate
• Formula: C8 H14 N2 O7
• Calculated formula: C8 H14 N2 O7
• SMILES: C(=O)([C@@H]([C@H](C(=O)O)O)O)[O-].c1(c[nH]c[nH+]1)C.O.C(=O)([C@H]([C@@H](C(=O)O)O)O)[O-].c1(c[nH]c[nH+]1)C.O
• Title of publication: 4-Methylimidazolium DL-tartrate monohydrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 105
• a: 7.376 ± 0.0015 Å
• b: 7.624 ± 0.003 Å
• c: 10.211 ± 0.003 Å
• α: 88.86 ± 0.03°
• β: 71.015 ± 0.015°
• γ: 82.34 ± 0.02°
• Cell volume: 538 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1397
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No