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Methyl 1-methyl-3-phenyl-1,2,3,3a,4,9b-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

ABSTRACT: In the title compound, C(24)H(23)NO(3), the dihedral angle between the naphthalene ring system and the phenyl ring is 76.82?(6)°. The pyrrolidine ring adopts an envelope conformation. In the crystal, weak inter-molecular C-H?O and C-H?? inter-actions are observed.

SUBMITTER: Gunasekaran B

PROVIDER: S-EPMC2977716 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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Methyl 1-methyl-3-phenyl-1,2,3,3a,4,9b-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

Gunasekaran B B Kathiravan S S Raghunathan R R Renuga V V Manivannan V V

Acta crystallographica. Section E, Structure reports online 20090410 Pt 5

In the title compound, C(24)H(23)NO(3), the dihedral angle between the naphthalene ring system and the phenyl ring is 76.82 (6)°. The pyrrolidine ring adopts an envelope conformation. In the crystal, weak inter-molecular C-H⋯O and C-H⋯π inter-actions are observed. ...[more]

PMID: 21583852

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Methyl 3-(4-bromo-phen-yl)-1-methyl-1,2,3,3a,4,9b-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

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(20)H(21)NO(3), the heterocyclic six-membered ring adopts a half-chair conformation and the pyrrolidine ring adopts an envelope conformation. The mol-ecular conformation is stabilized by C-H?O and C-H?N inter-actions.

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Methyl 3-(4-fluoro-phen-yl)-1-methyl-1,2,3,3a,4,9b-hexa-hydro-chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

Project description:In the title compound, C(20)H(20)FNO(3), the pyrrolidine and benzopyran rings adopt half chair and twisted half chair conformations, respectively. The carboxyl-ate group is almost perpendicular to the pyran ring [89.4?(1)°].

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Project description:In the title compound, C(25)H(25)NO(3), the dihydro-pyran ring adopts a half-chair conformation, whereas the pyrrolidine ring is in a twist conformation. The tolyl group is oriented at an angle of 82.92 (7)° with respect to the napthalene ring system. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by C-H⋯π inter-actions involving the benzene ring of the tolyl group.

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Methyl 3-(4-chloro-phen-yl)-1-methyl-1,2,3,3a,4,11c-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

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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Methyl 3-(4-methoxy-phen-yl)-1-methyl-1,2,3,3a,4,11b-hexa-hydro-benzo[f]chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

Project description:In the title compound, C(25)H(25)NO(4), the pyrrolidine ring exhibits an envelope conformation and the tetra-hydro-pyran ring exhibits a half-chair conformation. The crystal structure is stabilized by inter-molecular C-H⋯π inter-actions.

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(3aRS,9bSR)-3-(4-Chloro-phen-yl)-1-methyl-1,2,3,3a,4,9b-hexa-hydro-chromeno[4,3-b]pyrrole-3a-carbonitrile.

Project description:In the mol-ecule of the title compound, C(19)H(17)ClN(2)O, the heterocyclic six-membered ring adopts a half-chair conformation, while the pyrrolidine ring has an envelope conformation. In the crystal structure, C-Cl?? [Cl?centroid = 3.680?(2)?Å] inter-actions and van der Waals forces are present.

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Project description:The title compound, C(22)H(22)BrNO(5), was synthesized by the intra-molecular cyclo-addition reaction of (E)-ethyl 4-(4-bromo-2-formyl-phen-oxy)but-2-enoate and methyl 2-amino-2-phenyl-acetate. The pyrrolidine and 3,4-dihydro-2H-pyran rings exhibit envelope conformations. The two benzene rings are twisted to each other at a dihedral angle of 59.36?(18)°. The eth-oxy group of the ester unit is disordered over two sites with an occupancy ratio of 0.503?(11):0.497?(11). Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

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1-Methyl-3-(2-methyl-phen-yl)-3a-nitro-1,2,3,3a,4,9b-hexa-hydro-chromeno[4,3-b]pyrrole.

Project description:The asymmetric unit of the title compound, C(19)H(20)N(2)O(3), contains two independent mol-ecules in both of which the pyrrolidine ring adopts an envelope conformation, but with a C atom as the flap in one mol-ecule and the N atom in the other. The pyran ring adopts a half-chair conformation in both mol-ecules. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds and C-H?? inter-actions.

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Crystal structures of methyl 3-(4-iso-propyl-phen-yl)-1-methyl-1,2,3,3a,4,9b-hexa-hydro-thio-chromeno[4,3-b]pyrrole-3a-carboxyl-ate, methyl 1-methyl-3-(o-tol-yl)-1,2,3,3a,4,9b-hexa-hydro-thio-chromeno[4,3-b]pyrrole-3a-carboxyl-ate and methyl 1-methyl-3-(o-tol-yl)-3,3a,4,9b-tetra-hydro-1H-thio-chromeno[4,3-c]isoxazole-3a-carboxyl-ate.

Project description:In the title compounds, C23H27NO2S, (I), and C21H23NO2S, (II), the pyrrole rings have envelope conformations with the C atom substituted by the benzene ring as the flap. In the third title compound, C20H21NO3S, (III), the isoxazole ring has a twisted conformation on the C-C bond substituted by the benzene ring and the carboxyl-ate group. In all three compounds, the thio-pyran ring has a half-chair conformation. The mean plane of the pyrrole ring is inclined to the mean plane of the thio-pyran ring by 57.07?(9), 58.98?(9) and 60.34?(12)° in (I), (II) and (III), respectively. The benzene rings are inclined to one another by 73.26?(10)° in (I), 65.781)° in (II) and 63.37?(13)° in (III). In the crystals of all three compounds, there are no classical hydrogen bonds present. Only in the crystal of compound (I) are mol-ecules linked by a pair of C-H?? inter-actions, forming inversion dimers. The isopropyl group in compound (I) is disordered over two sets of sites and has a refined occupancy ratio of 0.586?(13):0.414?(13).

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