Abstract
Refinement of neutron-diffraction data from a partially deuteriated single crystal of taurine, 2-aminoethylsulfonic acid, confirms the zwitterion structure, ND +3 (CH2)2SO −3 , at room temperature; the S−C−C−N torsion angle of thegauche configuration in the solid state is −69.40. Hydrogen positions have been located more precisely than in the earlier X-ray analysis to yield apparent bond lengths N−D/H=1.02(1) Å and C−H=1.08(1) Å.
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References
Groth, P.Chem. Krystallogr. 1910,III, 159.
Sutherland, H.H.; Young, D.W.Acta Crystallogr. 1963,16, 897.
Okaya, Y.Acta Crystallogr. 1966,21, 726.
Garrison-Lagrange, G.; Jensen, H.; Cotrait, M.J. Mol. Structure 1977,36, 275.
Ratković, S.Bull. Soc. Chim. Beograd. 1974,39, 257.
Ratković, S.; Forsén, S.Croat. Chem. Acta 1970,42, 439.
Arndt, U.W.; Willis, B.T.M.Single Crystal Diffractometry; University Press; Cambridge,1966, p 98.
Sheldrick, G.M.Shelx76; A Program for Crystal Structure Determination; University of Cambridge: U.K.,1976.
Carruthers, J.R. CRYSTALS User Manual, Oxford University Computing Laboratory,1975.
Jeffrey, G.A.J. Mol. Struct. 1985,130, 43.
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Briant, C.E., Jones, D.W. Neutron refinement of the crystal structure of partially exchanged taurine, (ND +3 )0.65(NH +3 )0.35(CH2)2SO −3 . J Chem Crystallogr 27, 481–483 (1997). https://doi.org/10.1007/BF02576588
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DOI: https://doi.org/10.1007/BF02576588