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

ABSTRACT: 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.

SUBMITTER: Fischer A

PROVIDER: S-EPMC2960782 | biostudies-literature |

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.

Project description: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)°.

| S-EPMC2959655 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol-ecules (A and B) which differ significantly in the orientations of ethyl carboxyl-ate groups. The phenyl ring in mol-ecule B is disordered over two orientations with occupancies of 0.55 (2) and 0.45 (2). The cyclo-hexenone ring of both mol-ecules adopts an envelope conformation. The dihedral angle between the two aromatic rings is 81.12 (7)° in mol-ecule A and 70.8 (3)° in mol-ecule B [57.5 (4)° in the minor disorder component]. The crystal structure is stabilized by weak intermolecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC2960071 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol-ecules (A and B). The cyclo-hexene rings adopt slightly distorted sofa conformations in both mol-ecules. The dihedral angles between the benzene rings are 74.16 (13) and 71.85 (13)° in mol-ecules A and B, respectively. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into a ribbon-like structure along the b axis. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3435819 | biostudies-literature

Ethyl 6-(6-meth-oxy-2-naphth-yl)-2-oxo-4-(2-thien-yl)cyclo-hex-3-ene-1-carboxyl-ate.

Project description:The title compound, C(24)H(22)O(4)S, was prepared by reaction between (2E)-3-(6-meth-oxy-2-naphth-yl)-1-(2-thien-yl)prop-2-en-1-one and ethyl acetoacetate. In the crystal, the cyclo-hexenone ring shows a distorted half-chair conformation. The length of the double bond in the cyclohexenone ring [1.343?(4)?Å] is normal.

| S-EPMC2969391 | biostudies-literature

Ethyl 4-(4-bromo-phen-yl)-6-r-phenyl-2-oxocyclo-hex-3-ene-1-t-carboxyl-ate.

Project description:In the title compound, C(21)H(19)BrO(3), the cyclo-hexene ring adopts an envelope conformation, with all substituents equatorial. The plane through its five coplanar atoms makes dihedral angles of 28.88?(10) and 71.94?(10)° with the bromo-benzene and phenyl rings, respectively. The dihedral angle between the latter two rings is 51.49?(15)°. Inter-molecular C-H?O hydrogen bonds are found in the crystal structure; a C-H?? inter-action is also present.

| S-EPMC3007547 | biostudies-literature

Methyl 4,6-bis-(4-fluoro-phen-yl)-2-oxo-cyclo-hex-3-ene-1-carboxyl-ate.

Project description:The 3-cyclo-hexene units adopt envelope conformations in each of the two independent mol-ecules that comprise the asymmetric unit of the title compound, C(20)H(16)F(2)O(3). The dihedral angles between the two fluoro-phenyl rings are 79.7 (2) and 73.7 (2)° in the two mol-ecules. In one of the mol-ecules, two C-H groups of the cyclo-hexene ring are disordered over two sets of sites in a 0.818 (13):0.182 (13) ratio, the major and minor components corresponding to the two enanti-omeric forms of the mol-ecule. Weak inter-molecular C-H⋯O inter-actions help to stabilize the crystal structure.

| S-EPMC2983895 | biostudies-literature

tert-Butyl 6-methyl-2-oxo-4-[4-(trifluoro-meth-oxy)anilino]cyclo-hex-3-ene-1-carboxyl-ate.

Project description:In the title compound, C(19)H(22)F(3)NO(4), the dihedral angle between the benzene ring and the conjugated part of the enaminone ring is 42.5?(1)°. The ester substituent makes a dihedral angle of 81.3?(2)° with this latter moiety. The crystal structure is held together by strong N-H?O and weak C-H?O inter-molecular inter-actions. The enaminone ring is disordered over two orientations with relative occupancies of 0.794?(4) and 0.206?(4).

| S-EPMC3011753 | biostudies-literature

Ethyl 5-oxo-2,3-diphenyl-cyclo-pentane-1-carboxyl-ate.

Project description:The title compound, C(20)H(20)O(3), was prepared by an acyl-oin-type condensation reaction in the presence of sodium sand and dry ether using ethyl cinnamate as the starting material. The C-O bond lengths for the carbonyl groups are 1.191?(2) and 1.198?(2)?Å, while the C-O bond in the ester group is 1.335?(2)?Å. The C-C bond lengths in the phenyl groups average 1.375?Å, while the C-C bonds in the cyclo-penta-none ring average 1.525?Å, indicating single C-C bonds in the latter.

| S-EPMC2979171 | biostudies-literature

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

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].

| S-EPMC3885083 | biostudies-other

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.

| S-EPMC4704750 | biostudies-literature

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