Information card for entry 2021315

Structure parameters

• Chemical name: 4-(4-Methoxyphenyl)-2-methyl-1<i>H</i>-imidazole
• Formula: C11 H12 N2 O
• Calculated formula: C11 H12 N2 O
• SMILES: O(c1ccc(c2nc([nH]c2)C)cc1)C
• Title of publication: Studies <i>via</i> X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1<i>H</i>-imidazoles of different electronic nature and their <i>in vitro</i> antifungal evaluation
• Authors of publication: Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 7.153 ± 0.0011 Å
• b: 7.4824 ± 0.0014 Å
• c: 21.437 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes