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- W2765718365 abstract "The acoustic frequency distributions, mechanical moduli, and crystal structures for theophylline (THY) and three cocrystals are combined to illustrate how supramolecular organization and interaction topology contribute to the compaction performance of molecular solids. A novel solid form of THY, a cocrystal with 4-fluoro-3-nitrobenzoic acid (FNBA), is reported. This material adopts a 2d-layered structure and has superior tabletability relative to THY. The improved plasticity for THY–FNBA was further corroborated by Heckel analysis with THY–FNBA displaying a reduced yield pressure (Py) relative to theophylline. The performance of THY–FNBA was further compared to a structurally similar theophylline cocrystal with acetaminophen (THY–APAP). Despite structural similarity, their relative compaction performance was distinct. Powder Brillouin light scattering (p-BLS) was used as an experimental measure of the interaction topologies of these materials, and through this approach, the interlayer interaction strength..." @default.
- W2765718365 created "2017-11-10" @default.
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- W2765718365 date "2017-11-03" @default.
- W2765718365 modified "2023-09-25" @default.
- W2765718365 title "Combining Crystal Structure and Interaction Topology for Interpreting Functional Molecular Solids: A Study of Theophylline Cocrystals" @default.
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- W2765718365 doi "https://doi.org/10.1021/acs.cgd.7b01339" @default.
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