Molecular and crystal structures of 1R,4R-cis-2-(4-hydroxybenzylidene)-p-menthan-3-one |
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| Authors: | V I Kulishov A S Tolochko M Yu Antipin V V Vashchenko L A Kutulya |
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| Institution: | (1) Institute of Physics, National Academy of Sciences of Ukraine, pr. Nauki 46, Kiev, 03650, Ukraine;(2) Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, Moscow, GSP-1, 119991, Russia;(3) Institute of Single Crystals, National Academy of Sciences of Ukraine, pr. Lenina 60, Kharkov, 61001, Ukraine |
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| Abstract: | The molecular and crystal structures of chiral 1R, 4R-cis-2-(4-hydroxybenzylidene)-p-menthan-3-one (I) are determined by X-ray diffraction analysis. Single crystals of I are orthorhombic, a = 8.997(2) Å, b = 11.314(2) Å, c = 14.847(3) Å, V = 1511.3(5) Å3, Z = 4, and space group P212121. The cyclohexanone ring in molecules of compound I has a chair-type conformation with the axial methyl and equatorial isopropyl groups. The enone and benzylidene groupings are nonplanar. The considerable distortion of bond angles at the sp 2 carbon atoms of the benzylidene grouping and the puckering parameters of the cyclohexanone ring in the structure of I are close to those observed for the previously studied compound with the p-methoxy substituent. In the crystal, molecules I are linked by very short intermolecular hydrogen bonds  | |
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