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Methyl 4-(4-methoxy-phen-yl)-1,2,3,3a,4,4a,5,12c-octa-hydro-benzo[f]chromeno[3,4-b]pyrrolizine-4a-carboxyl-ate.

ABSTRACT: In the title compound, C(27)H(27)NO(4), both the pyrrolidine rings in the pyrrolizine ring system adopt envelope conformations, whereas the dihydro-pyran ring adopts a half-chair conformation. The methoxy-phenyl group is oriented at an angle of 53.72?(4)° with respect to the naphthalene ring system. Intra-molecular C-H?O hydrogen bonds are observed. The crystal structure is stabilized by weak inter-molecular C-H?? inter-actions.

SUBMITTER: Nirmala S

PROVIDER: S-EPMC2977484 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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Methyl 4-(4-methoxy-phen-yl)-1,2,3,3a,4,4a,5,12c-octa-hydro-benzo[f]chromeno[3,4-b]pyrrolizine-4a-carboxyl-ate.

Nirmala S S Kamala E Theboral Sugi ET Sudha L L Kathiravan S S Raghunathan R R

Acta crystallographica. Section E, Structure reports online 20090722 Pt 8

In the title compound, C(27)H(27)NO(4), both the pyrrolidine rings in the pyrrolizine ring system adopt envelope conformations, whereas the dihydro-pyran ring adopts a half-chair conformation. The methoxy-phenyl group is oriented at an angle of 53.72 (4)° with respect to the naphthalene ring system. Intra-molecular C-H⋯O hydrogen bonds are observed. The crystal structure is stabilized by weak inter-molecular C-H⋯π inter-actions. ...[more]

PMID: 21583620

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Methyl 4-(4-chloro-phen-yl)-1,2,3,3a,4,4a,5,12c-octa-hydro-benzo[f]chromeno[3,4-b]pyrrolizine-4a-carboxyl-ate.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(26)H(24)ClNO(3). The dihedral angles between the naphthalene ring system and the chloro-phenyl substituent are 58.76?(9) and 51.59?(8)° in the two mol-ecules. In the pyrrolizine ring system, both the pyrrolidine rings adopt envelope conformations and the dihydro-pyran rings adopt half-chair conformations. In the pyrrolizine ring system of one of the mol-ecules, one of the C atoms is disordered over two positions with site occupancies of 0.69?(2) and 0.31?(2). The crystal packing is stabilized by weak intra-molecular C-H?O inter-actions and the crystal packing is stabilized by weak C-H?? inter-actions.

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Project description:In the title compound, C(24)H(22)BrNO(3), the dihydro-pyran ring adopts a half-chair conformation, whereas the pyrrolidine ring is in an envelope conformation. The bromo-phenyl group is oriented at an angle of 66.44?(4)° with respect to the naphthalene ring system. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by C-H?? inter-actions and the dimers are connected via C-H?Br hydrogen bonds. The crystal structure is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.453?(1)?Å].

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Project description:In the title compound, C(24)H(22)ClNO(3), the dihedral angle between the naphthalene ring system and the chloro-phenyl ring is 67.44?(4)°. The pyrrolidine and dihydro-pyran rings exhibit envelope and half chair conformations, respectively. In the crystal structure, weak C-H?? inter-actions are observed.

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