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Crystal structures of N-[4-(trifluoromethyl)phenyl]benzamide and N-(4-methoxyphenyl)benzamide at 173 K: a study of the energetics of conformational changes due to crystal packing

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The conformations of two aryl amides have been determined experimentally in crystal structures using X-ray data and calculated with DFT methods for the isolated molecules. Geometrical comparisons are made along… Click to show full abstract

The conformations of two aryl amides have been determined experimentally in crystal structures using X-ray data and calculated with DFT methods for the isolated molecules. Geometrical comparisons are made along with energy analyses of the intermolecular interactions in the two crystal structures.

Keywords: phenyl benzamide; trifluoromethyl phenyl; structures trifluoromethyl; crystal structures; methoxyphenyl benzamide; benzamide methoxyphenyl

Journal Title: Acta Crystallographica Section E: Crystallographic Communications
Year Published: 2022

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