Crystal Structure of Methyl 3- (2-chlorophenyl )-3- (5, 5-dimethyl-3-hydroxy-2-cyclohexene- 1-one-2-

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The title compound C18H21ClO4 was synthesized by the reaction of 2-chlorobenzaldehyde, 5, 5-dimethyl-1, 3-cycfohexanedione and isopropylidene malonatein methanol catalyzed by KF-Al2O3 It crystallized in the monoclinic system, spacegroup P21/c, with a = 7. 587(2), b = 11. 736(3), c = 19. 120(7) A, β =101. 30°, V=1669.5(9) A 3, Dc= 1. 340 g/cm3, Z= 4, Mr= 336. 81, A= 0. 71069A, μ(MoKa) =2. 46 cm-1, F(000) = 712. The structure was refined to R=0. 034,Rw=0. 042 for 1468 observed refiections (I>3(I) ). X-ray analysis reveals that thedihedral angle between plane I[C(12)~C(17), Cl] and plane 2[O(1), O(2), C(1),C(2), C(3)] is 66. 98° and the C(11) atom exhibits a distorted tetrahedral configuration. The crystal structure shows that there is a conjugated enol form in the molecule. The title compound C18H21ClO4 was synthesized by the reaction of 2-chlorobenzaldehyde, 5, 5-dimethyl-1, 3-cycfohexanedione and isopropylidene malonate in methanol catalyzed by KF-Al2O3 It crystallized in the monoclinic system, space group P21 / c, with a = 7 B = 11. 736 (3), c = 19. 120 (7) A, β = 101. 30 °, V = 1669.5 (9) A 3, Dc = 1. 340 g / cm 3, Z = 4, Mr = 336. 81, A = 0. 71069A, μ (MoKa) = 2.46 cm -1, F (000) = 712. The structure was refined to R = 0. 034, Rw = 0. 042 for 1468 observed refiections (I> 3 (I)). X-ray analysis reveals that the dihedral angle between plane I [C (12) ~ C (17), Cl] and plane 2 [O 98 ° and the C (11) atom exhibits a distorted tetrahedral configuration. The crystal structure shows that there is an conjugated enol form in the molecule.
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