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- Title
Molecular and Crystal Structures of 1R,4R-cis-2-(4-Hydroxybenzylidene)-p-Menthan-3-one.
- Authors
Kulishov, V. I.; Tolochko, A. S.; Antipin, M. Yu.; Vashchenko, V. V.; Kutulya, L. A.
- Abstract
The molecular and crystal structures of chiral 1R,4R-cis-2-(4-hydroxybenzylidene)-p-menthan-3one (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) ų, Z = 4, and space group P2[sub 1]2[sub 1]2[sub 1]. 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 sp² 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 > C = O ··· HO-.
- Subjects
CRYSTALLOGRAPHY; ORGANIC compounds
- Publication
Crystallography Reports, 2002, Vol 47, Issue 5, p805
- ISSN
1063-7745
- Publication type
Article
- DOI
10.1134/1.1509396