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Ethyl 6-r-(2-chlorophenyl)-2-oxo-4-phenyl-cyclohex-3-ene-1-t-carboxylate.

ABSTRACT: In the title mol-ecule, C(21)H(19)ClO(3), the cyclo-hexene ring adopts an envelope conformation, with all substituents equatorial. The plane through its five coplanar atoms makes dihedral angles of 12.75 (14) and 74.16 (8)° with the phenyl and benzene rings, respectively. The dihedral angle between the latter two rings is 81.73 (12)°. Inter-molecular C-H⋯O hydrogen bonds and intra-molecular C-H⋯Cl contacts are found in the crystal structure; a weak C-H⋯π inter-action is also present.

SUBMITTER: Anuradha N

PROVIDER: S-EPMC2968099 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propyl-imidazolidine-5-carboxylate.

Project description:The title compound, C20H27ClN2O3, was obtained via an original synthesis method. The central heterocyclic ring adopts a shallow envelope conformation, with the N atom bearing the cyclo-pentane ring as the flap [deviation from the other atoms = 0.442 (2) Å]. The cyclo-pentane ring adopts a twisted conformation about one of the CN-C bonds: the exocyclic C-N bond adopts an equatorial orientation. The dihedral angles between the central ring (all atoms) and the pendant five- and six-membered rings are 10.3 (2) and 87.76 (14)°, respectively. In the crystal, C-H⋯O inter-actions link the mol-ecules into [011] chains. A weak C-H⋯Cl inter-action links the chains into (100) sheets. A mechanism for the cyclization reaction is proposed.

| S-EPMC4555374 | biostudies-literature

Ethyl (E)-3-[1'-ethyl-2-oxo-4'-(phenyl-sulfon-yl)-2H-spiro-[acenaphthyl-ene-1,2'-pyrrolidine]-3'-yl]acrylate.

Project description:In the title compound, C(28)H(27)NO(5)S, the five-membered pyrrolidine ring, which exhibits an envelope conformation (the C atom at the spiral junction being the flap atom), makes dihedral angles of 57.37 (10) and 86.84 (8)°, respectively, with the phenyl ring and the acenaphthyl-ene ring system. In the crystal, mol-ecules associate via two C-H⋯O hydrogen bonds, forming R(2) (2)(20) and R(2) (2)(10) graph-set motifs.

| S-EPMC3344527 | biostudies-literature

2-Oxo-2-phenyl-ethyl benzoate.

Project description:In the title compound, C(15)H(12)O(3), the terminal phenyl rings make a dihedral angle of 86.09?(9)° with each other. In the crystal, a pair of inter-molecular C-H?O hydrogen bonds link the mol-ecules, forming a dimer with an R(2) (2)(10) ring motif.

| S-EPMC3120516 | 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 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.

| S-EPMC2960782 | biostudies-literature

Ethyl 4-acetyl-5-oxo-3-phenyl-hexa-noate.

Project description:The reaction of ethyl 3-bromo-3-phenyl-propano-ate with pentane-2,4-dione, in the presence of palladium(II) acetate and triphenyl-phosphine, in dimethyl-formamide, unexpectedly gave the title product, C(16)H(20)O(4). The mol-ecule contains one chiral C atom but the crystal is racemic. In the crystal, neighboring mol-ecules form a chain along [100] through three weak C-H⋯O inter-actions. Furthermore, a double-stranded structure is formed through weak C-H⋯O inter-actions between two parallel chains.

| S-EPMC3099969 | biostudies-literature

N,N'-Bis(2-hydroxy-ethyl)-N,N'-[ethyl-ene-dioxy-bis(o-phenyl-enemethyl-ene)]-diammonium fumarate tetra-hydrate.

Project description:The reaction of 1,2-bis-{2-[(2-hydroxy-ethyl)amino-methyl]-phen-oxy}ethane and fumaric acid in a mixed solution in ethanol-water (1:1 v/v) yields the title compound, C(20)H(30)N(2)O(4) (2+)·C(4)H(2)O(4) (2-)·4H(2)O. In the crystal structure, the anions, cations and water mol-ecules are connected via O-H⋯O and N-H⋯O hydrogen bonds into a three-dimensional network. The fumarate anion and the N,N'-bis-(2-hydroxy-ethyl)-N,N'-[ethyl-enedioxy-bis(o-phenyl-enemethylene)]diammonium cation are located on centers of inversion, whereas the two crystallographically independent water mol-ecules occupy general positions.

| S-EPMC2959538 | biostudies-literature

trans-Ethyl-enedi-p-phenyl-ene diacetate.

Project description:The centrosymmetric title compound, C(18)H(26)O(4), was prepared in high yield from 4-acetoxy-styrene via Ru-catalysed homo-olefin metathesis. Exclusive formation of the E-configurated isomer was observed. In the crystal, a strong C-H?? inter-molecular inter-action links the mol-ecules together.

| S-EPMC2970084 | biostudies-other

3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-ethyl-benzimidazolium) dibromide.

Project description:In the title mol-ecular salt, C(26)H(28)N(4) (2+)·2Br(-), the central benzene ring makes dihedral angles of 76.75?(11) and 82.40?(10)° with the pendant benzimidazole rings. The corresponding angle between the benzimidazole rings is 57.03?(9)°. In the crystal, the cations and anions are linked via C-H?Br hydrogen bonds, forming sheets lying parallel to the bc plane. The crystal structure also features weak C-H?? inter-actions.

| S-EPMC3297300 | biostudies-literature

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