Abstract
Ozagrel, (E)-3-[4-(1H-imidiazol-1-ylmethyl)phenyl]-2-propenic acid, crystallizes with fumaric acid in absolute ethanol to give the dihydrous fumarate salt, [(C13H13N2O2)2]2+ [C4H2O4]2−·2H2O, which crystallizes in the monoclinic space group P2(1)/n with a = 4.7981(19), b = 11.101(6), c = 26.930(11) Å, β = 90.567(16)°, V = 1434.3(11) Å3, Z = 4, C15H16N2O5, M r = 304.30, D c = 1.409 g/cm3. In the crystal structure, fumaric acid transfers two protons to imidazole ring N atoms of ozagrel. And the resulting carboxylate anions are simultaneously hydrogen-boned to carboxylic group and imidazole ring of ozagrel to give rise to a 2D layer structure. Hydrogen-bonding interactions between water and fumarate dianion result in a 3D structure.
Graphical Abstract
Ozagrel crystallizes with fumaric acid in absolute ethanol to give the dihydrous fumarate salt in which fumaric acid transfers two protons to imidazole ring N atoms of ozagrel and the resulting carboxylate anions are simultaneously hydrogen-boned to carboxylic group and imidazole ring of ozagrel to give rise to a 2D layer structure. Hydrogen-bonding interactions between water and fumarate dianion result in a 3D structure.
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Acknowledgments
The authors acknowledge the supports from the Project of the Natural Science Foundation of Fujian Province, China (2008J0164), the Special Foundation for Young Scientists of Fujian Province (2008F3081) and the Project from Fuzhou Municipal Bureau of Science and Technology (2007-Z-81).
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Lou, B., Guo, X., Lin, Q. et al. Crystal Structure of Ozagrel Fumarate dihydrate (Ozagrel = (E)-3-[4-(1H-imidiazol-1-ylmethyl)phenyl]-2-propenic acid). J Chem Crystallogr 39, 831–834 (2009). https://doi.org/10.1007/s10870-009-9590-4
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DOI: https://doi.org/10.1007/s10870-009-9590-4