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Syntheses and crystal structures of two N-substituted thio-imidazoles

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The syntheses and structures of two N-substituted thio-imidazoles are reported. The geometrical parameters for both compounds, including essentially planar imidazole rings, are consistent with previous structural studies of related materials. The only possible non-van der Waals’ interactions influencing the molecular packing are weak C–H⋯π bonds. Crystal data: C12H14N2S (N-methyl-N′-2-phenylethyl-imidazol-2-thione), M r = 218.31, monoclinic, P21/n, (No. 14), a = 6.8441(2) Å, b = 12.9960(4) Å, c = 13.4703(4) Å, β = 97.7729(16)°, V = 1187.12(6) Å3, Z = 4, R(F) = 0.039, wR(F 2) = 0.104. C19H20N2S (N,N′-bis((s)-1-phenylethyl)imidazol-2-thione), M r = 308.43, orthorhombic, P212121 (No. 19), a = 10.4060(3) Å, b = 10.6712(3) Å, c = 14.8932(3) Å, V = 1653.81(7) Å3, Z = 4, R(F) = 0.038, wR(F 2) = 0.085.

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Authors and Affiliations

  1. Department of Chemistry, University of Aberdeen, Aberdeen, AB24 3UE, UK

    Craig Williamson, John M. D. Storey & William T. A. Harrison

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  1. Craig Williamson
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  2. John M. D. Storey
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  3. William T. A. Harrison
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Correspondence to William T. A. Harrison.

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Supplementary material

Crystallographic data for the structures reported in the paper have been deposited at the Cambridge Crystallographic Data Centre as supplementary data CCDC No. 266912 (4, C12H14N2S) and CCDC No. 266913 (5, C19H20N2S). Copies of the data can be obtained on application to CCDC, 12 Union Road, Cambridge CB2 1EZ, UK. e-mail: deposit@ccdc.cam.ac.uk.

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Williamson, C., Storey, J.M.D. & Harrison, W.T.A. Syntheses and crystal structures of two N-substituted thio-imidazoles. J Chem Crystallogr 36, 277–282 (2006). https://doi.org/10.1007/s10870-005-9032-x

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  • DOI: https://doi.org/10.1007/s10870-005-9032-x

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