Information card for entry 2232356

Structure parameters

• Chemical name: (2<i>E</i>)-1-(2,5-Dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
• Formula: C17 H15 N O5
• Calculated formula: C17 H15 N O5
• SMILES: O(c1ccc(OC)cc1C(=O)/C=C/c1cc(N(=O)=O)ccc1)C
• Title of publication: (2<i>E</i>)-1-(2,5-Dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Narayana, B.; Nayak, Prakash S.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3058 - o3059
• a: 7.5015 ± 0.0005 Å
• b: 7.9962 ± 0.0005 Å
• c: 13.2468 ± 0.0008 Å
• α: 86.507 ± 0.001°
• β: 80.342 ± 0.001°
• γ: 76.332 ± 0.001°
• Cell volume: 760.96 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes