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Crystal structure of lacosamide form I, C13H18N2O3

  • James A. Kaduk (a1), Kai Zhong (a2), Amy M. Gindhart (a2) and Thomas N. Blanton (a2)

Abstract

The crystal structure of lacosamide form I has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques (density functional theory). Lacosamide form I crystallizes in space group P21 (#4) with a = 10.677 73(5), b = 4.799 68(2), c = 13.639 16(9) Å, β = 91.6331(10)̊, V = 698.719(6) Å3, and Z = 2. Van der Waals interactions are important in the crystal structure. Two N–H···O hydrogen bonds form C1,1(4) chains along the b-axis. Several weaker C–H···O hydrogen bonds to the ketone oxygens also contribute to the packing energy. These C–H···O extend both along the b-axis and in the ac-plane, and help link the molecules in three dimensions. The powder pattern has been submitted to International Centre for Diffraction Data for inclusion in the Powder Diffraction File™.

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Corresponding author

a) Author to whom correspondence should be addressed. Electronic mail: kaduk@polycrystallography.com

References

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Crystal structure of lacosamide form I, C13H18N2O3

  • James A. Kaduk (a1), Kai Zhong (a2), Amy M. Gindhart (a2) and Thomas N. Blanton (a2)

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