Molecular Structure Elucidation of a New Anhydrous Polymorph of Acyclovir: Experimental and Computational Approach
نویسندگان
چکیده
We present the spatial architecture of a new anhydrous polymorph of Acyclovir, obtained by rapid evaporation of a solution composed of Acyclovir and methanol. X-ray powder diffraction (XRPD), solid-state NMR (SSNMR), differential scanning calorimetry (DSC), and FTIR spectroscopy have been used as experimental tools to prove the formation of this new solid form and to characterize its crystalline packing. Hereby, we determined that the asymmetric unit of this polymorph consists of two non-equivalent Acyclovir molecules, linked by hydrogen-bonds. The good correlation between the experimental 13C NMR chemical shifts and those predicted by molecular modeling confirms the molecular model proposed by XRPD refinement.
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