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Crystal structure of 2,6‐diphenyl azabicyclo [3.3.1] nonan‐9‐one thiosemicarbazone
Author(s) -
Sampath N.,
Malathy Sony S. M.,
Ponnuswamy M. N.,
Nethaji M.
Publication year - 2004
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.200310260
Subject(s) - triclinic crystal system , piperidine , chemistry , van der waals force , ring (chemistry) , crystallography , hydrogen bond , crystal structure , cyclohexane , molecule , intermolecular force , cyclohexane conformation , semicarbazone , stereochemistry , organic chemistry
The title compound (C 21 H 24 N 4 S, CCDC 206345) crystallizes in triclinic space group P&1macr; with cell parameters a =12.557(2) Å, b = 12.743(2) Å, c = 13.703(2) Å, α =90.005(3)°, β = 113.663(3)°, γ = 106.756(3)°, V = 1906.2(5) Å 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‐H…N, N‐H…S & C‐H…π intra and intermolecular hydrogen bond networks in addition to van der Waals forces. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)