Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 12 (December 2007)


organic compounds



av3115 scheme

Acta Cryst. (2007). C63, o704-o710    [ doi:10.1107/S0108270107049426 ]

A series of substituted (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-ones

D. Chopra, T. P. Mohan, B. Vishalakshi and T. N. Guru Row

Abstract: In the molecular structures of a series of substituted chalcones, namely (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-phenylprop-2-en-1-one, C21H15FO2, (I), (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one, C21H14F2O2, (II), (2E)-1-(4-chlorophenyl)-3-(2-fluoro-4-phenoxyphenyl)prop-2-en-1-one, C21H14ClFO2, (III), (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one, C22H17FO2, (IV), and (2E)-3-(2-fluoro-4-phenoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one, C22H17FO3, (V), the configuration of the keto group with respect to the olefinic double bond is s-cis. The molecules pack utilizing weak C-H...O and C-H...[pi] intermolecular contacts. Identical packing motifs involving C-H...O interactions, forming both chains and dimers, along with C-H...[pi] dimers and [pi]-[pi] aromatic interactions are observed in the fluoro, chloro and methyl derivatives.

Formula: C21H15FO2, C21H14F2O2, C21H14ClFO2, C22H17FO2 and C22H17FO3


hkldisplay filedownload file

Structure factor file (CIF format) (154.8 kbytes)
[ doi:10.1107/S0108270107049426/av3115Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (158.1 kbytes)
[ doi:10.1107/S0108270107049426/av3115IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (153.9 kbytes)
[ doi:10.1107/S0108270107049426/av3115IIIsup4.hkl ]
Contains datablock III


hkldisplay filedownload file

Structure factor file (CIF format) (167.0 kbytes)
[ doi:10.1107/S0108270107049426/av3115IVsup5.hkl ]
Contains datablock IV


hkldisplay filedownload file

Structure factor file (CIF format) (164.2 kbytes)
[ doi:10.1107/S0108270107049426/av3115Vsup6.hkl ]
Contains datablock V


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