Information card for entry 2208696

Structure parameters

• Chemical name: 8-hydroxyquinoline‒5-methyl-1H-imidazole (1/1)
• Formula: C13 H13 N3 O
• Calculated formula: C13 H13 N3 O
• SMILES: c12c(cccc1cccn2)O.c1(cnc[nH]1)C
• Title of publication: A 1:1 cocrystal of 8-hydroxyquinoline and 5-methyl-1<i>H</i>-imidazole
• Authors of publication: Zhi-Xiong Liu; Meng, Xiang-Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1286 - o1288
• a: 7.259 ± 0.003 Å
• b: 9.109 ± 0.003 Å
• c: 18.334 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1212.3 ± 0.8 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes