Structure of Polymorph-ii of (1r,3s)-1,2,2-trimethyl-3-(4-methylthiobenzoyl)-cyclopentanecarboxylic Acid
(1992) Acta Crystallographica. Section C: Crystal Structure Communications — Vol. 48, p. 2174-2177 (1992)
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- Abstract
- C17H22O3S, M(r) = 306.407, orthorhombic, P2(1)2(1)2, a = 13.327 (5), b = 19.277 (8), c = 6.361 (2) angstrom, V = 1634 (1) angstrom3, Z = 4, D(x) = 1.245 Mg m-3, lambda(Cu Kalpha) = 1.54178 angstrom, mu = 1.77 mm-1, F(000) = 656, T = 293 K, R = 0.043 for 2574 observed reflections. Two crystalline forms of the title compound have been obtained but only one (form II) has given suitable crystals for X-ray structure analysis. The five-membered ring has an envelope conformation with C(2) 0.60 (1) angstrom out of the plane defined by the other four atoms. The absolute configuration has been established and appears to be identical to that of camphoric acid used in the synthesis. Molecules form dimers around the twofold axis by means of hydrogen bonds between their carboxylic groups.
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Rambaud, J., Pauvert, B., Bouassab, A., Terol, A., Chevallet, P., & Declercq, J.-P. (1992). Structure of Polymorph-ii of (1r,3s)-1,2,2-trimethyl-3-(4-methylthiobenzoyl)-cyclopentanecarboxylic Acid. Acta Crystallographica. Section C: Crystal Structure Communications, 48, 2174-2177. https://doi.org/10.1107/S010827019200338X (Original work published 1992)