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Levosimendan Form I, C14H12N6O
Jacob K Salazar1, James A Kaduk2, Anja Dosen3
1North Central College, Department of Chemistry 131 S Loomis St Naperville IL 60540 USA.
Abstract:
The crystal structure of levosimendan Form I [systematic name: 2-({4-[(4R)-4-methyl-6-oxo-4,5-di-hydro-1H-pyridazin-3-yl]phen-yl}hydrazinyl-idene)propanedi-nitrile], C14H12N6O, has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Levosimendan Form I crystallizes in space group P212121 (#19). The crystal structure is characterized by nearly parallel stacking of the mol-ecules parallel to the bc plane. N-H⋯O and N-H⋯N hydrogen bonds link the mol-ecules within the layers, with graph sets C(11) and C(13) and larger patterns.
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