Changing the ∠(O–H b ···N3–C2) dihedral angle from 0° to 180° while fixing all other parameters very nearly transforms the first alternative geometry into the other. It will be shown that only one of the alternative geometries allowed by the experimental data for 4-MT···H 2 O is consistent with a clear trend emerging from studies of related complexes and rationalized by the noncovalent interactions present.
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Noncovalent Interactions in the Molecular Geometries of 4-Methylthiazole···H<sub>2</sub>O and 5-Methylthiazole···H<sub>2</sub>O Revealed by Microwave Spectroscopy.
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