Mohamed I Attia1,2 
,
Hazem A Ghabbour1,3,
Maha S Almutairi1,
Soraya W Ghoneim1,
Hoong-Kun Fun1,4
For correspondence:- Mohamed Attia Email: mattia@ksu.edu.sa Tel:+966114677337
Received: 15 June 2015 Accepted: 13 September 2015 Published: 31 October 2015
Citation: Attia MI, Ghabbour HA, Almutairi MS, Ghoneim SW, Fun H. Single-crystal x-ray structure of anti-candida agent, (e)-3-(1h-imidazol-1-yl)-1-phenylpropan-1-one o-3-chlorobenzoyl oxime. Trop J Pharm Res 2015; 14(10):1865-1870 doi: 10.4314/tjpr.v14i10.18
© 2015 The authors.
This is an Open Access article that uses a funding model which does not charge readers or their institutions for access and distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0) and the Budapest Open Access Initiative (http://www.budapestopenaccessinitiative.org/read), which permit unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited..
Purpose: To determine the conformation as well as imine double bond configuration of the anti-Candida oximino ester, 3-(1H-imidazol-1-yl)-1-phenyl- propan-1-one O-3-chlorobenzoyl oxime.
Methods: The titled compound was synthesized in a four-step reaction sequence using acetophenone as a starting material. Spectral analysis, viz, nuclear magnetic resonance (1H NMR and 13C NMR spectroscopy) and mass spectrometry (MS) confirmed the chemical structure of the synthesized compounds. Subsequently, single crystals of the titled compound were subjected to x-ray crystallographic analysis.
Results: The single crystal x-ray crystallography of the investigated anti-Candida agent revealed its conformation and the (E)-configuration of its imine double bond. The titled compound crystallizes in the monoclinic space group P21/c with a = 11.1894 (2)Å, b = 19.5577 (4)Å, c = 8.2201 (2)Å, β = 104.919 (2)º, V = 1738.24 (6)Å3, Z = 4. The molecules are packed in crystal structure by weak non-classical intermolecular hydrogen C2—H2A•••O2 interactions.
Conclusion: X-ray crystallography analysis confirms the (E)-configuration of the titled compound.
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