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Issue 2, 2002
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Insights into bonding and hydrogen bond directionality in thioacetamide from the experimental charge distribution

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Abstract

A multipole model of the charge density distribution in thioacetamide has been obtained using high-resolution single crystal X-ray diffraction data. Topological analysis of the total experimental charge density ρ(r) and its Laplacian −∇2ρ(r) at the bond critical points reveals fine details of intra- and intermolecular bonding features.

Graphical abstract: Insights into bonding and hydrogen bond directionality in thioacetamide from the experimental charge distribution

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Publication details

The article was received on 15 Oct 2001, accepted on 20 Nov 2001 and first published on 08 Jan 2002


Article type: Paper
DOI: 10.1039/B109353C
Citation: J. Chem. Soc., Perkin Trans. 2, 2002,0, 235-239
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    Insights into bonding and hydrogen bond directionality in thioacetamide from the experimental charge distribution

    T. W. Hambley, D. E. Hibbs, P. Turner, Siân. T. Howard and M. B. Hursthouse, J. Chem. Soc., Perkin Trans. 2, 2002, 0, 235
    DOI: 10.1039/B109353C

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