Information card for entry 2237204

Structure parameters

• Chemical name: 1-(4-Nitrophenyl)-1<i>H</i>-imidazol-3-ium chloride
• Formula: C9 H8 Cl N3 O2
• Calculated formula: C9 H8 Cl N3 O2
• SMILES: c1n(cc[nH+]1)c1ccc(N(=O)=O)cc1.[Cl-]
• Title of publication: 1-(4-Nitrophenyl)-1<i>H</i>-imidazol-3-ium chloride
• Authors of publication: Ibrahim, Halliru; Bala, Muhammad D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o114
• a: 14.6042 ± 0.0008 Å
• b: 12.1781 ± 0.0007 Å
• c: 5.607 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 997.21 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes