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Crystal structures of two acridinedione derivatives
Author(s) -
Palani K.,
Ambalavanan P.,
Ponnuswamy M. N.,
Murugan P.,
Ramakrishnan V. T.
Publication year - 2005
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.200310339
Subject(s) - moiety , van der waals force , chemistry , crystal structure , planarity testing , ring (chemistry) , molecule , hydrogen bond , pyridine , crystal (programming language) , crystallography , stereochemistry , medicinal chemistry , organic chemistry , computer science , programming language
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. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)