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3-Hydr-oxy-5,5-dimethyl-2-(2-oxo-propyl)cyclo-hex-2-enone.

ABSTRACT: The title compound, C(11)H(16)O(3), was obtained by reaction of dimedone, 5,5-dimethylcyclohexane-1,3-dione, and α-chloro-acetone. The cyclo-hexenone ring exhibits an envelope conformation with puckering amplitudes Q = 0.433 (2) and Φ = -109.0 (3)°. The 2-oxopropyl fragment is almost perpendicular to the cyclo-hexa-none ring [dihedral angle = 77.72 (8)°]. In the crystal, the mol-ecules are linked to each other through O-H⋯O hydrogen bonding, building a chain parallel to the b axis.

SUBMITTER: Martinez R

PROVIDER: S-EPMC2971976 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2,5-Dimethyl-3-[4-(trifluoro-meth-oxy)anilino]-cyclo-hex-2-enone.

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3-Hy-droxy-2-[(4-hy-droxy-3,5-dimeth-oxy-phen-yl)(2-hy-droxy-4,4-dimethyl-6-oxo-cyclo-hex-1-en-1-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.

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Syntheses and structures of two benzoyl amides: 2-chloro-4-eth-oxy-3,5-dimeth-oxy-<i>N</i>-(3-oxo-cyclo-hex-1-en-1-yl)benzamide and 2-chloro-<i>N</i>-(5,5-dimethyl-3-oxo-cyclo-hex-1-en-1-yl)-4-eth-oxy-3,5-di-meth-oxy-benzamide.

Project description:The first title benzoyl amide, C17H20ClNO5 (3a), crystallizes in the monoclinic space group P21/c with Z = 4 and the second, C19H24ClNO5 (3b), also crystallizes in P21/c with Z = 8 (Z' = 2), thus there are two independent mol-ecules in the asymmetric unit. In 3a, the phenyl ring makes a dihedral angle of 50.8 (3)° with the amide moiety with the C=O group on the same side of the mol-ecule as the C-Cl group. One meth-oxy group is almost in the plane of the benzene ring, while the eth-oxy and other meth-oxy substituent are arranged on opposite sides of the ring with the eth-oxy group occupying the same side of the ring as the C=O group in the amide moiety. For one of the two mol-ecules in 3b, both the amide and 5,5-dimethyl-3-oxo-cyclo-hex-1-en-1-yl moieties are disordered over two sets of sites with occupancies of 0.551 (2)/0.449 (2) with the major difference between the two conformers being due to the conformation adopted by the cyclo-hex-2-en-1-one ring. The three mol-ecules in 3b (i.e., the undisordered mol-ecule and the two disorder components) differ in the arrangement of the subsituents on the phenyl ring and the conformation adopted by their 5,5-dimethyl-3-oxo-cyclo-hex-1-en-1-yl moieties. In the crystal of 3a, N-H⋯O hydrogen bonds link the mol-ecules into a zigzag chain propagating in the [001] direction. For 3b a combination of C-H⋯O and N-H⋯O inter-molecular inter-actions link the mol-ecules into a zigzag ribbon propagating in the [001] direction.

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(4-Meth-oxy-phen-yl)(4-propyl-cyclo-hex-yl)methanone.

Project description:The asymmetric unit of the title compound, C17H24O2, contains two independent mol-ecules with different conformations. The least-squares plane through the cyclohexane ring makes dihedral angles of 52.9?(5) and 81.4?(4)° with the benzene ring in the two molecules. The cyclo-hexane ring adopts a chair conformation in both mol-ecules. In the crystal, weak C-H?O hydrogen bonds link mol-ecules related by translation in [100] into two crystallographically independent chains.

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