Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 10 (October 2004)

organic compounds

Acta Cryst. (2004). C60, o723-o726 [ doi:10.1107/S0108270104017743 ]

The E and Z isomers of 3-(benzoxazol-2-yl)prop-2-enoic acid

J. G. Trujillo-Ferrara, I. I. Padilla-Martínez, F. J. Martínez-Martínez, H. Höpfl, N. Farfan-García and E. V. García-Báez

Abstract: The carboxylic acid group and the double bond are coplanar in (E)-3-(benzoxazol-2-yl)prop-2-enoic acid, C₁₀H₇NO₃, whereas in isomeric (Z)-3-(benzoxazol-2-yl)prop-2-enoic acid, also C₁₀H₇NO₃, they are almost orthogonal. In both isomers, a strong O-HN hydrogen bond, with the carboxylic acid group as a donor and the pyridine-like N atom as an acceptor, and weak C-HO interactions contribute to the observed supramolecular structures, which are completed by [pi] - [pi] stacking interactions between oxazole and benzenoid rings.

Formula: Two isomers of C₁₀H₇NO₃


	Structure factor file (CIF format) (100.3 kbytes) Contains datablock I-E

	Structure factor file (CIF format) (97.1 kbytes) Contains datablock I-Z

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