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Crystal structure of 2,6-diphenyl azabicyclo [3.3.1] nonan-9-one thiosemicarbazone

Sampath, N and Sony, Malathy SM and Ponnuswamy, MN and Nethaji, M (2004) Crystal structure of 2,6-diphenyl azabicyclo [3.3.1] nonan-9-one thiosemicarbazone. In: Crystal Research and Technology, 39 (9). pp. 821-826.

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The title compound $\[(C_2_1H_2_4N_4S,\hspace{2mm}CCDC\hspace{2mm}206345)\]$crystallizes in triclinic space group P&1macr; with cell parameters a =12.557(2) $\AA$, b = 12.743(2) $\AA$, c = 13.703(2) $\AA$, \alpha =$90.005(3)^o$, \beta = $113.663(3)^o$, \gamma = $106.756(3)^o$, V = 1906.2(5) $\AA^o$ 3, Z = 4, $D_{cal}$ = 1.270 $Mg/m^3$ at T =293 K. The structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R1= 0.0573and wR2 = 0.1364 using 8192 observed reflections. The piperidine and cyclohexane rings adopt chair conformation. The planar phenyl rings are the equatorial substituents of the piperidine ring. The molecules in the unit cell are stabilized by N-HN, N-HS & C-H...\pi intra and intermolecular hydrogen bond networks in addition to van der Waals forces.

Item Type: Journal Article
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Additional Information: The copyright belongs to WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Keywords: crystal structure;conformation;hydrogen bonding;packing motif
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 28 Mar 2006
Last Modified: 27 Aug 2008 11:51
URI: http://eprints.iisc.ernet.in/id/eprint/6143

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