Crystal structures of two acridinedione derivatives by K. Palani, P. Ambalavanan, M. N. Ponnuswamy, P. Murugan, and V. T. Ramakrishnan

Crystal Research and Technology

Cryst. Res. Technol. 40, 277 (2005) - Abstract -

Crystal structures of two acridinedione derivatives

K. Palani, P. Ambalavanan, M. N. Ponnuswamy, P. Murugan*, and V. T. Ramakrishnan*

Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai – 600 025, India
*Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai – 600 025, India

Keywords	crystal structure, conformation, acridinediones, hydrogen bonding
PACS	61.66.Hq
DOI	10.1002/crat.200310339

The crystal structures of two acridinedione derivatives, namely 10-(3,4-Dichloro-5-hydroxyphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H, 5H) acridinedione (DHHA, CCDC 206440) and 10-(3,5-Dihydroxy-4-nitrophenyl)-3,4,6,7,9,10-hexahydro-1,8(2H, 5H) acridinedione (DHNA, CCDC206441) are reported here. Both the structures were solved by direct methods and refined by full-matrix least-squares procedures to final R- values of 0.073 and 0.076 respectively. In both the crystal structures, the central pyridine ring in the acridinedione moiety tends to be planar while the outer two rings adopt half-chair (sofa) conformation. The buckling angles 2.2(2)° and 11.0(1)° for DHHA and DHNA show the degree of planarity of the acridinedione moiety. The C-H…O types of hydrogen bonds help to stabilize the molecules in the unit cell in addition to van der Waals forces.

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