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7α-Methoxy-carbonyl-6,7,8,14-tetra-hydro-6,14-endo-ethenothebaine.

ABSTRACT: In the mol-ecule of the title compound, C(23)H(27)NO(5), the furan ring adopts an envelope conformation. Intra-molecular C-H⋯O inter-actions result in the formation of S(5) and S(6) motifs. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules through C(6) and C(8) chains along the [100] and [010] directions, generating a two-dimensional network.

SUBMITTER: Odabasoglu M

PROVIDER: S-EPMC2968994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-Cyano-7?-methoxy-carbonyl-6,14-endo-ethenotetra-hydro-northebaine.

Project description:IN THE TITLE COMPOUND (SYSTEMATIC NAME:methyl 17-cyano-3,6-dimeth-oxy-4,5?-ep-oxy-6,14-endo-ethenomorphinan-7-carboxyl-ate), C(23)H(24)N(2)O(5), the dihydro-furan ring adopts a twist conformation, while the piperidine ring is in a chair conformation. The benzene-fused cyclo-hexene ring adopts an envelope conformation. An intra-molecular C-H?O hydrogen bond is observed. Inter-molecular C-H?N and C-H?O hydrogen bonds form C(5) chains along the a and b axes, respectively, and together they form a three-dimensional network.

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Project description:The title compound, C(15)H(16)N(2)O(5), belongs to the class of monastrol-type anti--cancer agents and was selected for crystal structure determination in order to determine the conformational details needed for subsequent structure-activity relationship studies. The central tetra-hydro-pyrimidine ring has a flat-envelope conformation. The 4-phenyl group occupies a pseudo-axial position and is inclined at an angle of ca 90° to the mean plane of the heterocyclic ring. Of the two methyl ester groups, one (in the 5-position) is in a coplanar and the other (in the 6-position) in a perpendicular orientation with respect to the heterocyclic plane. The coplanar 5-ester group has its carbonyl bond oriented cis with respect to the pyrimidine C=C double bond. By comparison of the structural results for the present compound with those determined previously for its diethyl analogue, we have identified the mol-ecular factors which control the dual course of the Biginelli reaction with salicylaldehyde. The crystal structure is dominated by two hydrogen bonds which link the mol-ecules into chains of dimers.

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2,3,10,11-Tetra-meth-oxy-6,7,14,15-tetra-hydro-6,14-methano-cyclo-octa-[1,2-b;5,6-b']diquinoline.

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Cinnamoyl derivatives of 7alpha-aminomethyl-6,14-endo-ethanotetrahydrothebaine and 7alpha-aminomethyl-6,14-endo-ethanotetrahydrooripavine and related opioid ligands.

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Poly[octa-carbonyl-heptakis-(tetra-hydro-furan)-diironmanganesedisodium(2 <i>Mn</i>-<i>Fe</i>)].

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7α,15α-Dibromo-8,16-diphenyl-6,7,14,15-tetra-hydro-6α,14α-epithio-cyclo-octa-[1,2-b:5,6-b']diquinoline deuterochloro-form solvate.

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| S-EPMC2969924 | biostudies-literature

Crystal structure of 2-di-methyl-amino-1-eth-oxy-carbonyl-3-methyl-3,4,5,6-tetra-hydro-pyrimidin-1-ium tetra-phenyl-borate.

Project description:The asymmetric unit of the title salt, C10H20N3O2 (+)·C24H20B(-), contains two cations and two tetra-phenyl-borate ions. The C-N bond lengths in the central CN3 unit of the guanidinium ions range between 1.323?(2) and 1.381?(2)?Å, indicating partial double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charge is delocalized in the CN3 plane. The cationic six-membered rings are nonplanar, the dihedral angles between the N/C/N and C/C/C planes ranging from 45.8?(1) to 53.6?(1)°. In the crystal, C-H?? inter-actions are present between the guanidinium H atoms and the phenyl rings of the tetra-phenyl-borate ions. The phenyl rings form aromatic pockets, in which the guanidinium ions are embedded.

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Tetra-carbonyl-bis(?-cyclo-penta-dienyl)bis[(dec-9-en-1-yl)diphenyl-phosphine]dimolybdenum(0)(Mo-Mo) tetra-hydro-furan disolvate.

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| S-EPMC2971763 | biostudies-literature

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