Information card for entry 1557252

Structure parameters

• Chemical name: 4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol
• Formula: C29 H23 Cl N2 O
• Calculated formula: C29 H23 Cl N2 O
• SMILES: Clc1ccc(O)c(c2nc(c(n2c2ccc(cc2)CC)c2ccccc2)c2ccccc2)c1
• Title of publication: 4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol
• Authors of publication: Shraddha, K. N.; Devika, S.; Begum, Noor Shahina
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 1
• Pages of publication: x191690
• a: 9.0627 ± 0.0006 Å
• b: 10.7595 ± 0.0008 Å
• c: 24.4636 ± 0.0019 Å
• α: 90°
• β: 100.599 ± 0.003°
• γ: 90°
• Cell volume: 2344.7 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes