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THE CRYSTAL STRUCTURE OF NINHYDRIN,
NAVAL ORDNANCE LAB WHITE OAK MD
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The crystal structure of ninhydrin, C9H6O4 was determined at room temperature by X-ray diffraction. The crystals are monoclinic with a 11.24, b 6.06, c 5.77 A, and beta 99.1 degrees. The space group is P21 and there are two molecules in the unit cell. The intensities of 849 independent reflections were measured using photographic methods and Cu K alpha radiation. The structure was solved using Patterson and Fourier methods and refined by anisotropic full matrix least-squares to a final R value of 0.062 including all reflections except five which were considered to be affected by extinction. The molecules are held together in layer 2 molecules thick by 2 types of hydrogen bonds hydroxyl-hydroxyl bonds in a helical chain about the screw axes in the b direction and hydroxylcarbonyl bonds parallel to the c axis. The 0 ..... 0 bond distances are both 0.80 A. The other carbonyl group is not involved. There are no abnormally short van der Waals interactions. Author
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