Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 3 (March 2007)


organic compounds



av3067 scheme

Acta Cryst. (2007). C63, o196-o200    [ doi:10.1107/S0108270107005690 ]

Four (E,Z,E)-1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-trienes

Y. Sonoda, S. Tsuzuki, N. Tamaoki and M. Goto

Abstract: The crystal structures of the four E,Z,E isomers of 1-(4-alkoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene, namely (E,Z,E)-1-(4-methoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene, C19H17NO3, (E,Z,E)-1-(4-ethoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene, C20H19NO3, (E,Z,E)-1-(4-nitrophenyl)-6-(4-n-propoxyphenyl)hexa-1,3,5-triene, C21H21NO3, and (E,Z,E)-1-(4-n-butoxyphenyl)-6-(4-nitrophenyl)hexa-1,3,5-triene, C22H23NO3, have been determined. Intermolecular N...O dipole interactions between the nitro groups are observed for the methoxy derivative, while for the ethoxy derivative, two adjacent molecules are linked at both ends through N...O dipole-dipole interactions between the N atom of the nitro group and the O atom of the ethoxy group to form a supramolecular ring-like structure. In the crystal structures of the n-propoxy and n-butoxy derivatives, the shortest intermolecular distances are those between the two O atoms of the alkoxy groups. Thus, the nearest two molecules form an S-shaped supramolecular dimer in these crystal structures.

Formula: C19H17NO3, C20H19NO3, C21H21NO3 and C22H23NO3


hkldisplay filedownload file

Structure factor file (CIF format) (182.2 kbytes)
[ doi:10.1107/S0108270107005690/av3067Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (145.9 kbytes)
[ doi:10.1107/S0108270107005690/av3067IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (196.4 kbytes)
[ doi:10.1107/S0108270107005690/av3067IIIsup4.hkl ]
Contains datablock III


hkldisplay filedownload file

Structure factor file (CIF format) (211.2 kbytes)
[ doi:10.1107/S0108270107005690/av3067IVsup5.hkl ]
Contains datablock IV


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