Information card for entry 1520207

Structure parameters

• Chemical name: DL-Tartaric acid & 2-Methylimidazole
• Formula: C8 H12 N2 O6
• Calculated formula: C8 H12 N2 O6
• SMILES: C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.c1(C)[nH]cc[nH+]1.C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O.c1(C)[nH]cc[nH+]1
• Title of publication: 2-Methylimidazolium DL-tartrate
• 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: 454
• a: 7.5625 ± 0.0018 Å
• b: 8.34 ± 0.003 Å
• c: 9.193 ± 0.006 Å
• α: 66.47 ± 0.03°
• β: 71.9 ± 0.02°
• γ: 73.03 ± 0.02°
• Cell volume: 495.8 ± 0.4 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: 0.1256
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No