Information card for entry 2236784

Structure parameters

• Chemical name: 4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole
• Formula: C12 H10 N4
• Calculated formula: C12 H10 N4
• SMILES: c1c(c2ccc(c3c[nH]cn3)cc2)nc[nH]1
• Title of publication: 4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole
• Authors of publication: Wang, Qian; Zhao, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2618
• a: 6.8604 ± 0.0002 Å
• b: 9.4534 ± 0.0003 Å
• c: 16.4789 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1068.72 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes