Information card for entry 2240707

Structure parameters

• Common name: chalcone
• Chemical name: (<i>E</i>)-1-(4'-Methyl-[1,1'-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one
• Formula: C22 H17 N O3
• Calculated formula: C22 H17 N O3
• SMILES: O=N(=O)c1cccc(c1)/C=C/C(=O)c1ccc(cc1)c1ccc(cc1)C
• Title of publication: Crystal structure of (<i>E</i>)-1-(4'-methyl-[1,1'-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one
• Authors of publication: Vidhyasagar, T.; Rajeswari, K.; Shanthi, D.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o65 - o66
• a: 17.8214 ± 0.001 Å
• b: 6.163 ± 0.0003 Å
• c: 32.3569 ± 0.0019 Å
• α: 90°
• β: 103.165 ± 0.002°
• γ: 90°
• Cell volume: 3460.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes