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Crystal and Molecular Structure of an Acridinedione

Jeyakanthan, J and Yogavel, M and Rajan, Joseph T and Velmurugan, D and Sekar, K (2002) Crystal and Molecular Structure of an Acridinedione. In: Crystal Research and Technology, 37 (9). 1029 -1037.

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Abstract

The title compound, 10-(4-hydroxybenzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)-acridinedione monohydrate, $C_20H_2_2N_2O_4.H_2O$, consists of partially hydrogenated acridine moiety with one benzoylamino substituent on the central ring. The compound crystallizes in monoclinic system with P21/c space group and the unit cell constants are: a = 11.142(4), b = 12.266(2), c = 13.320(2) $A^o$; \beta = 91.76(2)° and V = 1819.6(8) $A^3$. The central ring (B) adopts boat and the outer rings (A and C) adopt sofa conformations. The water molecule takes part in OW-H...O and N-H...OW hydrogen bond formation with acridinedione and benzoylamino group. The oxygen atom O1 interacts through O-H...O bond with the hydroxyl group and in a head-to-tail link up of molecules that results in the formation of an infinite supra molecular chain.

Item Type: Journal Article
Additional Information: The copyright belongs to WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Keywords: Acridinedione;Aminoacridnyl;Benzoylamnioacridinedione;Isomorphous;Supramolecular;Conjugation
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Division of Information Sciences > Supercomputer Education & Research Centre
Date Deposited: 13 Apr 2006
Last Modified: 27 Aug 2008 11:53
URI: http://eprints.iisc.ernet.in/id/eprint/6298

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