Information card for entry 2200394

Structure parameters

• Formula: C10 H8 Cl N3 O4
• Calculated formula: C10 H8 Cl N3 O4
• SMILES: Clc1c(ccc(N(=O)=O)c1)C(=O)[O-].[nH+]1c[nH]cc1
• Title of publication: Imidazolium 2-chloro-4-nitrobenzoate
• Authors of publication: Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o744 - o745
• a: 9.078 ± 0.002 Å
• b: 5.928 ± 0.002 Å
• c: 10.7711 ± 0.0018 Å
• α: 90°
• β: 98.998 ± 0.017°
• γ: 90°
• Cell volume: 572.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes