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.
Hori, A., Mangani, S., Pèpe, G., Meyer, E.F.J., Cullen, D.L., Falk, H., et al. (1981). Crystal and Molecular Structure of a Photoisomer of an Oxodipyrro-methene: The E-Isomer of 3,4-Dimethyl-2,2'-pyrromethen-5(1H)-one. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS II, 12, 1525-1528 [10.1039/P29810001525].
Crystal and Molecular Structure of a Photoisomer of an Oxodipyrro-methene: The E-Isomer of 3,4-Dimethyl-2,2'-pyrromethen-5(1H)-one
Mangani, S.;
1981-01-01
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.
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https://hdl.handle.net/11365/32566
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