Abstract
The relationship between the crystal packing of powder samples and long-range 13C–13C homonuclear dipolar couplings is presented and illustrated for the case of uniformly 13C-enriched l-alanine and l-histidine·HCl·H2O. Dipolar coupling measurement is based on the partial reintroduction of dipolar interactions by spinning the sample slightly off-magic-angle, while the coupling of interest for a given spin pair is isolated with a frequency-selective pulse. A cost function is used to correlate the so-derived dipolar couplings to trial crystal structures of the samples under study. This procedure allowed for the investigation of the l-alanine space group and l-histidine·HCl·H2O space group and unit-cell parameters.
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