Crystal structure analysis of two terpene derivatives |
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Authors: | V K Gupta Rajnikant B Parsad R K Thappa S G Agarwal B Varghese S Goswami |
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Institution: | (1) Laboratory of Crystallography, Postgraduate Department of Physics, University of Jammu, Jammu Tawi, 180006, India;(2) Division of Organic Chemistry, Regional Research Laboratory, Jammu, India;(3) Regional Sophisticated Instrumentation Center, Indian Institute of Technology, Chennai, 600036, India |
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Abstract: | The crystal structures of two terpene derivatives, 2,4,5,6,7,7a-hexahydro-7a-hydroxy-3,6-dimethyl-2-benzofuranone (compound I) and β-cyclolavandulic acid (compound II), were determined by single-crystal diffractometry. Compound I, C10H14O3, crystallizes in the orthorhombic space group P212121 with the unit cell parameters a = 6.715(1) Å, b = 7.043(1) Å, c = 20.292(3) Å, and Z = 4. The six-membered ring has an ideal chair conformation. The five-membered ring is planar. Compound II, C10H16O2, crystallizes in the monoclinic space group P21/n with the unit cell parameters a = 8.446(1) Å, b = 12.156(1) Å, c = 9.901(1) Å, β = 106.29(1)°, and Z = 4. The cyclohexene ring exhibits a half-chair conformation. Both the crystal structures are stabilized by intermolecular O-H?O hydrogen bonds. |
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