5‐Amino‐2,4,6‐tribromoisophthalic acid: the MAD triangle for experimental phasing |
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Authors: | Tobias Beck Regine Herbst‐Irmer George M Sheldrick |
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Abstract: | The title compound, C8H4Br3NO4, shows an extensive hydrogen‐bond network. In the crystal structure, molecules are linked into chains by COO—H...O bonds, and pairs of chains are connected by additional COO—H...O bonds. This chain bundle shows stacking interactions and weak N—H...O hydrogen bonds with adjacent chain bundles. The three Br atoms present in the molecule form an equilateral triangle. This can be easily identified in the heavy‐atom substructure when this compound is used as a heavy‐atom derivative for experimental phasing of macromolecules. The title compound crystallizes as a nonmerohedral twin. |
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