Accession Number : AD0462791

Title :   THE CRYSTAL STRUCTURE OF NINHYDRIN,

Corporate Author : NAVAL ORDNANCE LAB WHITE OAK MD

Personal Author(s) : Medrud, Ronald C.

Report Date : 26 MAR 1965

Pagination or Media Count : 34

Abstract : 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)

Descriptors :   (*AROMATIC COMPOUNDS, CRYSTAL STRUCTURE), (*KETONES, CRYSTAL STRUCTURE), (*CRYSTAL STRUCTURE, AROMATIC COMPOUNDS), POLYCYCLIC COMPOUNDS, X RAY DIFFRACTION, CHEMICAL BONDS, HYDROXIDES, TABLES(DATA).

Distribution Statement : APPROVED FOR PUBLIC RELEASE