Information card for entry 2005639

Structure parameters

• Chemical name: 2-methyl-4(5)-(p-methoxyphenylazo)imidazole
• Formula: C11 H12 N4 O
• Calculated formula: C11 H12 N4 O
• SMILES: n1c([nH]c(c1)N=Nc1ccc(cc1)OC)C.[nH]1c(nc(c1)N=Nc1ccc(cc1)OC)C
• Title of publication: 4(5)-(<i>p</i>-Methoxyphenylazo)-2-methylimidazole
• Authors of publication: Anulewicz, R.; Maciejewska, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2943 - 2945
• a: 11.077 ± 0.002 Å
• b: 9.631 ± 0.002 Å
• c: 20.945 ± 0.004 Å
• α: 90°
• β: 93.53 ± 0.03°
• γ: 90°
• Cell volume: 2230.2 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections: 0.269
• Weighted residual factors for significantly intense reflections: 0.2349
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No