Information card for entry 2223677

Structure parameters

• Chemical name: (<i>Z</i>)-3-(9-Anthryl)-2-(4-nitro-1<i>H</i>-imidazol-1-yl)-1-<i>p</i>- tolylprop-2-en-1-one
• Formula: C27 H19 N3 O3
• Calculated formula: C27 H19 N3 O3
• SMILES: c1(ccc(cc1)C(=O)/C(=C/c1c2ccccc2cc2ccccc12)n1cnc(c1)N(=O)=O)C
• Title of publication: (<i>Z</i>)-3-(9-Anthryl)-2-(4-nitro-1<i>H</i>-imidazol-1-yl)-1-<i>p</i>-tolylprop-2-en-1-one
• Authors of publication: Wang, Guang-Zhou; Fang, Bo; Zhou, Cheng-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2619
• a: 7.9335 ± 0.0009 Å
• b: 11.2626 ± 0.0013 Å
• c: 13.0291 ± 0.0015 Å
• α: 75.454 ± 0.002°
• β: 85.763 ± 0.002°
• γ: 71.059 ± 0.002°
• Cell volume: 1065.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes