Crystal and molecular structure of a photoisomer of an oxodipyrromethene: the E-isomer of 3,4-dimethyl-2,2′-pyrromethen-5(1H)-one
- 1 January 1981
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 12,p. 1525-1528
- https://doi.org/10.1039/p29810001525
Abstract
The structure of the E-isomer of an oxodipyrromethene, 3,4-dimethyl-2,2′-pyrromethen-5(1H)-one, C11H12N2O, has been determined. This was obtained by photoisomerization from the Z-isomer. It crystallizes in the monoclinic space group P21/a with a= 10.479(3), b= 8.643(2), c= 11.926(2)Å, β= 114.07(1)°, Z= 4. The structure was solved by direct methods and refined by full-matrix least-squares to an R factor of 0.064. The molecule is in an anticlinal conformation with a dihedral angle of 49.8° about the methine single bond. Each oxygen atom is hydrogen-bonded to two nitrogen atoms which are located on two different molecules. Bond lengths and angles are similar to those found in the Z-isomer.Keywords
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