Factors governing the three-dimensional hydrogen bond network structure of poly (m-phenylene isopthalamide) and a series of its model compounds. 3. Energy terms indispensable to the crystal structure prediction.

Article Abstract:

The packing energy calculations were performed with computer simulation software (polymorph predictor) and the important energy terms were extracted successfully to clarify the factors govern the complicated three-dimensional hydrogen-bond network structure of poly (m-phenylene isopthalamide) and the model compounds were studied. The crystal structures were predicted with and without the various types of interaction terms being taken into consideration and were compared with the X-ray-analyzed structures.

Polymorphism (Crystallography), Phenylephrine

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Factors governing the three-dimensional hydrogen-bond network structure of poly(m-phenylene isophthalamide) and a series of its model compounds (4): Similarly in local conformation and packing structure between a complicated three-arm model compound and the linear model compounds

Article Abstract:

Crystal structure of a three-arm model compound of poly(m-phenylene isopthalamide) (PMIA), N,N',N''-triphenyl trimesamide PHI(CONH(PHI))3 is analyzed by the X-ray diffraction method. The local packing structure of the three-arm compound is found to be essentially the same as those observed for PMIA and the linear model compounds, indicating a characteristic structural feature of the meta-linkage-type aromatic amide compounds.

Plastics Material and Resin Manufacturing, Plastics materials and resins, Polyphenylene Resins, Observations, Crystals, Crystal structure, X-rays, X-ray diffraction, Optical properties, Polyphenylenes

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