Information card for entry 2221636

Structure parameters

• Chemical name: (<i>Z</i>)-3-(9-Anthryl)-1-(4-chlorophenyl)-2-(4-nitro-1<i>H</i>- imidazol-1-yl)prop-2-en-1-one
• Formula: C26 H16 Cl N3 O3
• Calculated formula: C26 H16 Cl N3 O3
• SMILES: c1(c2ccccc2cc2ccccc12)/C=C(/C(=O)c1ccc(cc1)Cl)n1cnc(c1)N(=O)=O
• Title of publication: (<i>Z</i>)-3-(9-Anthryl)-1-(4-chlorophenyl)-2-(4-nitro-1<i>H</i>-imidazol-1-yl)prop-2-en-1-one
• Authors of publication: Wang, Guang-zhou; Lu, Yi-hui; Zhou, Cheng-he; Zhang, Yi-yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1113
• a: 8.0511 ± 0.0009 Å
• b: 11.0406 ± 0.0012 Å
• c: 12.9274 ± 0.0014 Å
• α: 76.065 ± 0.002°
• β: 85.974 ± 0.002°
• γ: 71.258 ± 0.002°
• Cell volume: 1056.1 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes