Information card for entry 2017116

Structure parameters

• Chemical name: 2-methylimidazolium hydrogen glutarate]
• Formula: C9 H14 N2 O4
• Calculated formula: C9 H14 N2 O4
• SMILES: c1(C)[nH]cc[nH+]1.C(=O)(CCCC(=O)O)[O-]
• Title of publication: A two-dimensional network in the molecular salt 2-methylimidazolium hydrogen glutarate, and three-dimensional networks in the salts 2-methylimidazolium hydrogen succinate and 2-methylimidazolium hydrogen adipate monohydrate
• Authors of publication: Meng, Xiang-Gao; Cheng, Cui-Xia; Yan, Gang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o217 - o221
• a: 5.4433 ± 0.001 Å
• b: 8.3842 ± 0.0016 Å
• c: 12.598 ± 0.002 Å
• α: 77.91 ± 0.003°
• β: 82.342 ± 0.003°
• γ: 82.971 ± 0.003°
• Cell volume: 554.52 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes