Information card for entry 2227944

Structure parameters

• Common name: 1H-imidazole
• Chemical name: 4,5-Dimethyl-2-phenyl-1-(<i>p</i>-tolyl)-1<i>H</i>-imidazole
• Formula: C18 H18 N2
• Calculated formula: C18 H18 N2
• SMILES: n1(c(nc(c1C)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: 4,5-Dimethyl-2-phenyl-1-(<i>p</i>-tolyl)-1<i>H</i>-imidazole
• Authors of publication: Gayathri, P.; Thiruvalluvar, A.; Srinivasan, N.; Jayabharathi, J.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2826
• a: 9.6971 ± 0.0003 Å
• b: 7.5458 ± 0.0002 Å
• c: 19.8407 ± 0.0007 Å
• α: 90°
• β: 96.604 ± 0.003°
• γ: 90°
• Cell volume: 1442.16 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes