Information card for entry 2211008

Structure parameters

• Common name: 3-(3-Bromophenyl)-1-(4-meyhoxyphenyl)prop-2-en-1-one
• Chemical name: 3-(3-Bromophenyl)-1-(4-meyhoxyphenyl)prop-2-en-1-one
• Formula: C16 H13 Br O2
• Calculated formula: C16 H13 Br O2
• SMILES: Brc1cccc(/C=C/C(=O)c2ccc(OC)cc2)c1
• Title of publication: 3-(3-Bromophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; Vedavati G. Puranik; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4798 - o4799
• a: 10.2917 ± 0.0001 Å
• b: 3.897 ± 0.0001 Å
• c: 17.0919 ± 0.0002 Å
• α: 90°
• β: 107.313 ± 0.001°
• γ: 90°
• Cell volume: 654.44 ± 0.02 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes