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Ethyl 2-hydr-oxy-5-oxo-4-phenyl-2,3,4,5-tetra-hydro-pyrano[3,2-c]chromene-2-carboxyl-ate.

ABSTRACT: The main structural unit of the title compoud, C(21)H(18)O(6), is a fused three-ring group consisting of coumarin and tetra-hydro-pyrane ring systems. Two C atoms of the tetra-hydro-pyran ring are displaced by 0.295?(3) and -0.360?(2)?Å from the mean plane of coumarin ring. The dihedral angle between the phenyl and coumarin rings is 73.94?(3)°. Inter-molecular O-H?O hydrogen bonds are present in the crystal structure.

SUBMITTER: Zhang W

PROVIDER: S-EPMC2977402 | BioStudies | 2009-01-01T00:00:00Z

REPOSITORIES: biostudies

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(4R)-Ethyl 4-(4-chloro-phen-yl)-2-hydr-oxy-5-oxo-2,3,4,5-tetra-hydro-pyrano[3,2-c]chromene-2-carboxyl-ate.

Project description:The title compound, C(21)H(17)ClO(6), is optically pure and adopts an R configuration. It was obtained by an organocatalytic asymmetric Michael addition of 4-hydroxy-coumarin with (E)-ethyl 4-(4-chloro-phen-yl)-2-oxobut-3-enoate. The structure consists of a tetra-hydro-pyran unit fused to the coumarin ring ring system. The hydroxyl and phenyl groups are on the same side of the tetra-hydro-pyrane ring. The benzene ring is almost perpendicular to the coumarin ring [dihedral angle of 72.89?(3)°]. In the crystal structure, inter-molecular O-H?O hydrogen bonds are observed. An intra-molecular O-H?O contact also occurs.

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(S)-N-[(4-{(S)-1-[2-(4-Meth-oxy-benz-amido)-2-methyl-propano-yl]pyrrolidine-2-carboxamido}-3,4,5,6-tetra-hydro-2H-pyran-4-yl)carbon-yl]proline dimethyl sulfoxide monosolvate (4-MeBz-Aib-Pro-Thp-Pro-OH).

Project description:The asymmetric unit of the title compound, C28H38N4O8·C2H6OS, contains one tetra-peptide and one disordered dimethyl sulfoxide (DMSO) mol-ecule. The central five-membered ring (Pro(2)) of the peptide mol-ecule has a disordered envelope conformation [occupancy ratio 0.879?(2):0.121?(2)] with the envelope flap atom, the central C atom of the three ring methylene groups, lying on alternate sides of the mean ring plane. The terminal five-membered ring (Pro(4)) also adopts an envelope conformation with the C atom of the methylene group closest to the carboxylic acid function as the envelope flap, and the six-membered tetra-hydro-pyrane ring shows a chair conformation. The tetra-peptide exists in a helical conformation, stabilized by an intra-molecular hydrogen bond between the amide N-H group of the heterocyclic ?-amino acid Thp and the amide O atom of the 4-meth-oxy-benzoyl group. This inter-action has a graph set motif of S(10) and serves to maintain a fairly rigid ?-turn structure. In the crystal, the terminal hy-droxy group forms a hydrogen bond with the amide O atom of Thp of a neighbouring mol-ecule, and the amide N-H group at the opposite end of the mol-ecule forms a hydrogen bond with the amide O atom of Thp of another neighbouring mol-ecule. The combination of both inter-molecular inter-actions links the mol-ecules into an extended three-dimensional framework.

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(1'S,12'R,13'S,17'S)-15',15'-Dimethyl-1,2-dihydro-11',14',16',18'-tetra-oxa-7'-aza-spiro-[indole-3,8'-penta-cyclo-[10.6.0.0(2,9).0(3,7).0(13,17)]octa-deca-ne]-2,10'-dione.

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Project description:<h4>The title compound (systematic name</h4>7-oxo-3-phenyl-2,6-dioxabicyclo-[3.3.1]nonan-4-yl acetate), C(15)H(16)O(5), is a styryllactone derivative which was isolated from Goniothalamus macrophyllus. The mol-ecule has two fused rings consisting of a tetra-hydro-2H-pyran and a lactone ring, with the benzene ring and the acetyl group attached to the tetra-hydro-2H-pyran ring. The tetra-hydro-2H-pyran ring is in a standard chair conformation, whereas the lactone ring is in an envelope conformation. In the crystal, mol-ecules are linked by weak C-H?O inter-actions into sheets parallel to the ac plane. Weak C-H?? inter-actions are also observed.

2012-01-01 | S-EPMC3344029 | BioStudies

Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triaza-penta-cyclo-[19.7.1.0(2,7).0(15,20).0(22,27)]nona-cosa-2,4,6,15(20),16,18,21,26-octa-ene-26-carboxyl-ate.

Project description:The title compound, C33H35N3O5, is the product of the multicomponent condensation of 1-benzyl-4-eth-oxy-carbonyl-piperidin-3-one with 1,5-bis-(2-formyl-phen-oxy)-3-oxapentane and ammonium acetate. The mol-ecule comprises a penta-cyclic system containing the aza-14-crown-4-ether macrocycle, tetra-hydro-pyrimidine, tetra-hydro-pyridine and two benzene rings. The aza-14-crown-4-ether ring adopts a bowl conformation with a dihedral angle of 62.37?(5)° between the benzene rings. The tetra-hydro-pyrimidine ring has an envelope conformation with the chiral C atom as the flap, whereas the tetra-hydro-pyridine ring adopts a distorted chair conformation. Two amino groups are involved in intra-molecular N-H?O hydrogen bonds. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

1000-01-01 | S-EPMC3629615 | BioStudies

5-(4-Chloro-phen-yl)-1-methyl-3-phenyl-3,6,8,9-tetra-hydro-pyrazolo-[3,4-b]thio-pyrano[4,3-d]pyridine.

Project description:The title compound, C(22)H(18)ClN(3)S, was synthesized by the reaction of 4-chloro-benzaldehyde, tetra-hydro-thio-pyran-4-one and 3-methyl-1-phenyl-1H-pyrazol-5-amine in acetic acid without a catalyst. The pyridine and pyrazole rings are almost coplanar, the dihedral angle between their mean planes being 2.50?(1)°. The thio-pyran ring exhibits an envelope conformation. The crystal packing is stabilized by inter-molecular C-H?Cl hydrogen bonds and by C-H?? and ?-? inter-actions [centroid-centroid distances of 3.825?(2)?Å between pyridine rings and 3.557?(2)?Å between pyrazole and pyridine rings.

1000-01-01 | S-EPMC3200927 | BioStudies

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