The crystal structure of 1-(4-chlorophenyl)-3-(4-methylbenzoyl)thiourea |
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Authors: | Aamer Saeed Masood Parvez |
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Affiliation: | (1) Department of Chemistry, Quaid-I-Azam University, 45320 Islamabad, Pakistan;(2) Department of Chemistry, University of Calgary, 2500 University Drive, N.W., T2N 1N4 Calgary, Alberta, Canada |
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Abstract: | 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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Keywords: | X-ray structure N-aroyl-N′ -aryl thiourea mass fragmentation |
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