Abstract
The crystal structure of d-desthiobiotin was determined by the X-ray diffraction method. The crystals are orthorhombic, space group P212121, with cell dimensions, a=7.516(5), b=29.100(8), c=5.148(6)Å, and Z=4. The structure was refined to R=0.065. The molecular conformation is characterized by the extended trans planar zig-zag conformation of the caproic acid chain. The ureido carbonyl oxygen forms a strong hydrogen-bond with the carboxyl group of a neighboring molecule (O…O distance, 2.649(7)Å). These structural features resemble those of d, l-desthiobiotin, indicating that the structure observed in d-desthiobiotin is characteristic of desthiobiotin.
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