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(1S,8R,15S,19R)-17-Benzyl-17-aza-penta-cyclo-[6.6.5.0(2,7).0(9,14).0(15,19)]nona-deca-2(7),3,5,9(14),10,12-hexa-ene chloro-form monosolvate.

ABSTRACT: In the title compound, C(25)H(23)N·CHCl(3), the dihydro-anthracene unit is bent with a dihedral angle between the benzene rings of 57.82?(8)°. The N atom of the pyrrolidine heterocycle, which has an envelope conformation with the N atom as the flap, exhibits a pronounced pyramidalization [?(C-N-C) = 328.07°], indicating an accentuated N-donor character. In the crystal, this behaviour is evident by the C-H?N hydrogen bond involving a solvent mol-ecule and the N atom. The absolute configuration at the C-atom fused positions of the pyrrolidine group were crystallographically confirmed to be S and R.

SUBMITTER: Bratko I

PROVIDER: S-EPMC3470235 | biostudies-other | 2012 Oct

REPOSITORIES: biostudies-other

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(1S,8R,15S,19R)-17-Benzyl-17-aza-penta-cyclo-[6.6.5.0(2,7).0(9,14).0(15,19)]nona-deca-2(7),3,5,9(14),10,12-hexa-ene chloro-form monosolvate.

Bratko Ielyzaveta I Ladeira Sonia S Saffon Nathalie N Teuma Emmanuelle E Gómez Montserrat M

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

In the title compound, C(25)H(23)N·CHCl(3), the dihydro-anthracene unit is bent with a dihedral angle between the benzene rings of 57.82 (8)°. The N atom of the pyrrolidine heterocycle, which has an envelope conformation with the N atom as the flap, exhibits a pronounced pyramidalization [Σ(C-N-C) = 328.07°], indicating an accentuated N-donor character. In the crystal, this behaviour is evident by the C-H⋯N hydrogen bond involving a solvent mol-ecule and the N atom. The absolute configuration at ...[more]

PMID: 23125679

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17-Hy-droxy-1,8-dimethyl-17-aza-penta-cyclo-[6.6.5.0(2,7).0(9,14).0(15,19)]nona-deca-2,4,6,9(14),10,12-hexa-ene-16,18-dione.

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Project description:The title compound, C(43)H(45)NO(12), was prepared from the reaction of 2,6-bis-(dibromo-meth-yl)pyridine and bis-phenol in the presence of caesium carbonate as a base. The central ring makes dihedral angles of 64.83?(6), 13.48?(6), 56.96?(6) and 66.21?(6)° with the peripheral rings. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions, forming a folded structure.

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