Information card for entry 2213249

Structure parameters

• Chemical name: (2E)-3-[4-(dimethylamino)phenyl]-1-(3-nitrophenyl) prop-2-en-1-one
• Formula: C17 H16 N2 O3
• Calculated formula: C17 H16 N2 O3
• SMILES: O=C(c1cc(N(=O)=O)ccc1)/C=C/c1ccc(N(C)C)cc1
• Title of publication: (2<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(3-nitrophenyl)prop-2-en-1-one
• Authors of publication: Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2692 - o2692
• a: 6.4326 ± 0.0002 Å
• b: 7.1724 ± 0.0002 Å
• c: 16.5 ± 0.0006 Å
• α: 93.989 ± 0.002°
• β: 96.973 ± 0.002°
• γ: 107.844 ± 0.002°
• Cell volume: 714.68 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0835
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes