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Tropical Journal of Pharmaceutical Research
Pharmacotherapy Group, Faculty of Pharmacy, University of Benin, Benin City, Nigeria
ISSN: 1596-5996 EISSN: 1596-5996
Vol. 14, No. 10, 2015, pp. 1865-1870
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Bioline Code: pr15243
Full paper language: English
Document type: Research Article
Document available free of charge
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Tropical Journal of Pharmaceutical Research, Vol. 14, No. 10, 2015, pp. 1865-1870
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Single-Crystal X-ray Structure of Anti-Candida Agent, (E)-3- (1H-Imidazol-1-yl)-1-Phenylpropan-1-one O-3- Chlorobenzoyl Oxime
Attia, Mohamed I.; Ghabbour, Hazem A .; Almutairi, Maha S.; Ghoneim, Soraya W. & Fun, Hoong-Kun
Abstract
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.
Keywords
X-ray crystallography; Synthesis; Anti-Candida; Configuration; Conformation; Single crystal
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