Acta Cryst. (2009). B65, 230-237 [ doi:10.1107/S0108768109001566 ]
Abstract: As part of an ongoing series of experimental charge-density investigations into the intra- and intermolecular interactions present in compounds which undergo solid-state [2 + 2] cycloaddition reactions, the charge-density analyses of trans-cinnamic acid and coumarin-3-carboxylic acid are reported. Thus, high-resolution single-crystal X-ray diffraction data were recorded at 100 K for trans-cinnamic acid (sin ![[theta]](/logos/entities/thetas_rmgif.gif)
/![[lambda]](/logos/entities/lambda_rmgif.gif)
max = 1.03 Å-1) and coumarin-3-carboxylic acid (sin /max = 1.19 Å-1). In addition to the anticipated O-H
O hydrogen bonds weak C-HO interactions were identified in both structures along with very weak intermolecular interactions between pairs of molecules that undergo solid-state [2 + 2] cycloaddition reactions upon irradiation.
Keywords: charge density; X-ray diffraction; solid-state [2 + 2] cycloaddition.
 |   Structure factor file (CIF format) (412.5 kbytes) |
| Structure factor file (CIF format) (706.3 kbytes) |
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