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  1. 1 2005

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  1. 1 Parvez M.

  2. 1 Saeed A.

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

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Saeed A., Parvez M.
Open Chemistry
|
2005
|
vol. 3
|
issue 4
780-791
EN
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.
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