Information card for entry 2221883

Structure parameters

• Chemical name: 4-Hydroxybenzoic acid‒1<i>H</i>-imidazole (1/1)
• Formula: C10 H10 N2 O3
• Calculated formula: C10 H10 N2 O3
• SMILES: O=C(O)c1ccc(O)cc1.[nH]1ccnc1
• Title of publication: 4-Hydroxybenzoic acid‒1<i>H</i>-imidazole (1/1)
• Authors of publication: Wang, Wei; Liu, Bang-Wei; Liu, Jing; Ren, Rui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1205
• a: 9.601 ± 0.002 Å
• b: 10.53 ± 0.002 Å
• c: 10.586 ± 0.002 Å
• α: 90°
• β: 113.759 ± 0.003°
• γ: 90°
• Cell volume: 979.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes