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Crystal structures of the dihydrate and hexahydrate of hexamethylcystine

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Abstract

Hexamethylcystine forms a monoclinic dihydrate crystal in space group P21 with a = 8.2340(11) Å, b = 9.7061(14) Å, c = 11.4348(13) Å, β = 101.762(9)°, V = 894.7(3) Å3, and Z = 2. The hexahydrate crystal is. tetragonal, space group P41212, with a = 8.7810(3) Å, c = 28.270(3) Å, V = 2179.8(3) Å3, and Z = 4. The dihydrate structure refined to an R(F) of0.036 using 199 parameters and 1556 reflections with I > 3σ(I). Corresponding values for the hexahydrate are 0.045, 118, and 838. The hexamethylcystine is located on a twofold rotation axis of the lattice in the hexahydrate crystal. In the dihydrate the C-S-S-C torsion angle is -108.4(4)° and the carbon-sulfur chain is tightly coiled; in the hexahydrate the C-S-S-C torsion angle is 90.5(4)° and the backbone is a relatively open helix.

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Acknowledgment

T.M.B. acknowledges the support of a Department of Education Graduate Fellowship.

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Authors and Affiliations

  1. Department of Chemistry, Xavier University, 7325 Palmetto St., New Orleans, Louisiana, 70125, USA

    Ann Privett

  2. Department of Chemistry and Biochemistry, University of Arkansas, Fayetteville, Arkansas, 72701, USA

    Tosha Barclay & Wallace Cordes

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  1. Ann Privett
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  2. Tosha Barclay
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  3. Wallace Cordes
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Privett, A., Barclay, T. & Cordes, W. Crystal structures of the dihydrate and hexahydrate of hexamethylcystine. J Chem Crystallogr 27, 45–49 (1997). https://doi.org/10.1007/BF03543086

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  • DOI: https://doi.org/10.1007/BF03543086

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