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Rac-Ethyl 3-(3-bromo-2-thien-yl)-2-oxo-6-(4-propoxyphen-yl)cyclo-hex-3-ene-1-carboxyl-ate.

ABSTRACT: The racemic title compound, C(22)H(23)BrO(4)S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the thio-phene and phenyl rings are 71.64?(17) and 73.41?(17)°.

SUBMITTER: Fischer A

PROVIDER: S-EPMC2959655 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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rac-Ethyl 3-(3-bromo-2-thien-yl)-2-oxo-6-(4-propoxyphen-yl)cyclo-hex-3-ene-1-carboxyl-ate.

Fischer Andreas A Swamy M T MT Narayana B B Yathirajan H S HS

Acta crystallographica. Section E, Structure reports online 20081022 Pt 11

The racemic title compound, C(22)H(23)BrO(4)S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the thio-phene and phenyl rings are 71.64 (17) and 73.41 (17)°. ...[more]

PMID: 21581012

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Ethyl 4-(3-bromo-2-thien-yl)-2-oxo-6-phenyl-cyclo-hex-3-ene-1-carboxyl-ate.

Project description:The title compound, C(19)H(17)BrO(3)S, crystallizes with two mol-ecules in the asymmetric unit. The methyl group of one mol-ecule is disordered approximately equally over two positions. The dihedral angles between the thio-phene and phenyl groups are 68.5?(2) and 67.5?(2)° in the two mol-ecules.

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Ethyl 4-(4-methoxy-phen-yl)-2-oxo-6-phenyl-cyclo-hex-3-ene-1-carboxyl-ate.

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Project description:The asymmetric unit of the title compound, C21H18ClFO3, contains two independent mol-ecules. In one mol-ecule (A), the 4-chloro-phenyl, oxo-cyclo-hex-3-ene, carboxyl-ate, and ethyl groups were refined as disordered over two sets of sites with a 0.684?(5):0.316?(5) ratio. The cyclo-hexene ring in the disordered mol-ecule is in a slightly distorted envelope conformation for the major component (with the C atom bound to the carboxylate group being the flap atom) and in a screw-boat conformation for the minor component. In the ordered mol-ecule (B), the cyclo-hexene ring is in a half-chair conformation. The dihedral angles between the mean planes of the fluoro- and chloro-substituted benzene rings are 89.9?(7) (only the major component is considered for A) and 76.4?(7)° (B). In the crystal, inversion dimers are observed along with weak C-H?O hydrogen bonds, which form chains along [100].

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Crystal structure of ethyl (1RS,6SR)-4-(2-methyl-1H-imidazol-4-yl)-2-oxo-6-(2,3,5-tri-chloro-phen-yl)cyclo-hex-3-ene-1-carboxyl-ate.

Project description:The title compound, C19H17Cl3N2O3, has been prepared in a cyclo-condensation reaction between 2,3,5-tri-chloro-benzaldehye and 4-acetyl-2-methyl-1H-imidazole. The cyclo-hexenone ring adopts an envelope conformation with the C atom substituted by the tri-chloro-phenyl ring as the flap. The mutually trans ester and aryl substituents both occupy equatorial sites. In the crystal, a combination of N-H⋯O and C-H⋯N hydrogen bonds links the mol-ecules into ribbons of edge-fused centrosymmetric rings, which enclose R 2 (2)(14) and R 4 (4)(16) alternate ring motifs, propagating along the b-axis direction.

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1-[(Z)-1-Bromo-2-(butyl-dichloro-?-tellan-yl)ethen-yl]cyclo-hex-1-ene.

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