Abstract
The crystal and molecular structure of the title compound: C10H13OCl, determined by single-crystal X-ray diffraction is reported. Crystals are monoclinic, space group P21/a (No14),a=18.435(7),b=24.642(6),c=9.116(6)Å,β=103.23(5)°,Z=16,D x =1.216 Mg m−3,F(000)=1568,V=4031(1)Å3. The structure was solved by direct methods and the finalR value is 8.5%. The four molecules in asymmetric unit are linked by hydrogen bonds and form an infinite chain parallel to the (bc) plane. Different chains are held together by van der Waals forces.
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Rantsordas, S. Crystal and molecular structure of p-chlorothymols. II: 4-chloro-3-methyl-5-isopropylphenol (PCMT). Journal of Crystallographic and Spectroscopic Research 21, 139–143 (1991). https://doi.org/10.1007/BF01161055
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DOI: https://doi.org/10.1007/BF01161055