Information card for entry 2218537

Structure parameters

• Chemical name: (E)-3-(2-Chlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• Formula: C15 H10 Cl N O3
• Calculated formula: C15 H10 Cl N O3
• SMILES: Clc1ccccc1/C=C/C(=O)c1ccc(N(=O)=O)cc1
• Title of publication: (<i>E</i>)-3-(2-Chlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Patil, P. S.; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o958 - o959
• a: 13.7003 ± 0.0002 Å
• b: 7.3659 ± 0.0001 Å
• c: 25.9954 ± 0.0004 Å
• α: 90°
• β: 102.29 ± 0.001°
• γ: 90°
• Cell volume: 2563.21 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes