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2005 | 3 | 4 | 780-791

Article title

The crystal structure of 1-(4-chlorophenyl)-3-(4-methylbenzoyl)thiourea


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1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea was synthesized and characterized by IR,1H and 13C NMR, mass spectroscopy and the elemental analysis. The crystal structure was confirmed from single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21/c with unit cell dimensions a=12.038(3), b=6.330(6), c=18.912(5) Å and β=100.32(3)°. There is a strong intramolecular hydrogen bond of the type N−H...O, with distance N1...O1=2.659(3) Å. The structure is composed of dimers related by inversion centers. The dimers are formed by intermolecular interactions of the type N−H...S with N...S separation of 3.440(2) Å. The mass fragmentation pattern has also been discussed.










Physical description


1 - 12 - 2005
1 - 12 - 2005


  • Department of Chemistry, Quaid-I-Azam University, 45320, Islamabad, Pakistan
  • Department of Chemistry, University of Calgary, 2500 University Drive, N.W., T2N 1N4, Calgary, Alberta, Canada


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