ISSN:
1042-7163
Keywords:
Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The crystal structure of the title compound (3) was determined by the X-ray diffraction technique from diffractometer intensity measurements: C7H12O2S2, monoclinic space group P21/c, a = 12.644(1) Å, b = 6.102(1) Å, c = 12.920(2) Å, B = 110.78(1)°, 2193 reflections, and R = 0.043. The molecule of (3) adopts a chair conformation in which the carboxyl group occupies an axial position. The contacts between the carbonyl oxygen and axial hydrogens at C(4) and C(6) of 2.564 and 2.697 Å are smaller than the sum of van der Waals radii of this oxygen and hydrogen atoms, indicating a possibility of intramolecular C=O· ·H—C hydrogen bond formation. The acid 3 forms also dimeric structures via intermolecular hydrogen bonds with contact between hydroxyl hydrogen and carbonyl oxygen of 1.439 Å and O—H· · ·O angle of 176.2°.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/hc.520030527
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