Abstract:In the crystal structure of the title co-crystal, C4H5N3·C12H14O2, the components are linked by N—H⋯O and O—H⋯N hydrogen bonds. Self-assembly of these dimeric units results in a four-component supramolecular unit featuring a homosynthon between two molecules of the pyrimidin-2-amine involving two N—H⋯O hydrogen bonds, and two heterosynthons between each one molecule of pyrimidin-2-amine and 1-phenylcyclopentane-1-carboxylic acid involving N—H⋯O and O—H⋯N hydrogen bonds.
The cation of the title salt, C7H11N2
+·C12H13O2
−·H2O, is planar (r.m.s. deviation = 0.0184 Å). In the crystal, the cation, anion and water molecule are linked by O—H⋯O and N—H⋯O hydrogen bonds, forming a chain running along the a axis.
The cation of the title salt, C7H11N2
+·C12H13O2
−·H2O, is planar (r.m.s. deviation = 0.0184 Å). In the crystal, the cation, anion and water molecule are linked by O—H⋯O and N—H⋯O hydrogen bonds, forming a chain running along the a axis.
Recent elegant examples illustrate the power of charge density analysis, employed in a systematic way, to link electron density distribution to molecular structure. This leads to new insights into important chemical systems and the effects of systematic modifications to them. The advances made in extracting the electron density distribution from standard resolution X-ray diffraction data and the subsequent use of this information in systematic studies are also described.
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