Crystal Growth & Design
Crystal Growth & Design
5 years ago

Ortho-Substituent Effects on Diphenylurea Packing Motifs

Ortho-Substituent Effects on Diphenylurea Packing Motifs
Taylor A. Watts, Marina A. Solomos, Jennifer A. Swift
Analysis of a series of 16 ortho-substituted N,N′-diphenylurea structures shows a diversity of packing motifs. Energy calculations indicate the rotational barrier about the amide bonds can be quite large, which explains the relative small range of conformations observed across these systems, even in systems where polymorphs are observed.

Publisher URL: http://dx.doi.org/10.1021/acs.cgd.7b00757

DOI: 10.1021/acs.cgd.7b00757

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