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5-[(E)-Benzyl-idene]-2-hy-droxy-10-methyl-8-phenyl-3,10-diazahexa-cyclo-[10.7.1.1.0.0.0]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate.

ABSTRACT: In the title compound, C(33)H(28)N(2)O(2)·0.25C(2)H(6)O·0.6H(2)O, the piperidone ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the two phenyl rings is 70.83?(16)°. One of the N atoms of the organic mol-ecule is disordered over two positions in a 0.52?(4):0.48?(4) ratio and the two solvent mol-ecules are partially occupied and show high displacement parameters. In the crystal, mol-ecules are connected by inter-molecular O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Kumar RS

PROVIDER: S-EPMC3009066 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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5-[(E)-Benzyl-idene]-2-hy-droxy-10-methyl-8-phenyl-3,10-diazahexa-cyclo-[10.7.1.1.0.0.0]henicosa-1(19),12(20),13,15,17-pentaen-6-one ethanol 0.25-solvate 0.6-hydrate.

Kumar Raju Suresh RS Osman Hasnah H Perumal Subbu S Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

In the title compound, C(33)H(28)N(2)O(2)·0.25C(2)H(6)O·0.6H(2)O, the piperidone ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the two phenyl rings is 70.83 (16)°. One of the N atoms of the organic mol-ecule is disordered over two positions in a 0.52 (4):0.48 (4) ratio and the two solvent mol-ecules are partially occupied and show high displacement parameters. In the crystal, mol-ecules are connected by inter-molecular O-H⋯O ...[more]

PMID: 21588944

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