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Ethyl 1-(4-chloro-phen-yl)-3-[1-(4-meth-oxy-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]-2-nitro-2,3,10,10a-tetra-hydro-1H,5H-pyr-rolo[1,2-b]isoquinoline-10a-carboxyl-ate.

ABSTRACT: In the title compound, C(37)H(34)ClN(3)O(6), the pyrrolidine and piperidine rings adopt envelope and boat conformations, respectively. The ?-lactam ring is planar and forms dihedral angles of 21.3?(2) and 73.9?(2)°, respectively, with the attached methoxy-phenyl and phenyl rings. Intra-molecular C-H?O and C-H?N hydrogen bonds are observed. Centrosym-metrically related mol-ecules are linked together by weak C-H?O hydrogen bonds to form dimers.

SUBMITTER: Sundaresan S

PROVIDER: S-EPMC2959299 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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Ethyl 1-(4-chloro-phen-yl)-3-[1-(4-meth-oxy-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]-2-nitro-2,3,10,10a-tetra-hydro-1H,5H-pyr-rolo[1,2-b]isoquinoline-10a-carboxyl-ate.

Sundaresan S S Ramesh P P Arumugam N N Raghunathan R R Ponnuswamy M N MN

Acta crystallographica. Section E, Structure reports online 20080930 Pt 10

In the title compound, C(37)H(34)ClN(3)O(6), the pyrrolidine and piperidine rings adopt envelope and boat conformations, respectively. The β-lactam ring is planar and forms dihedral angles of 21.3 (2) and 73.9 (2)°, respectively, with the attached methoxy-phenyl and phenyl rings. Intra-molecular C-H⋯O and C-H⋯N hydrogen bonds are observed. Centrosym-metrically related mol-ecules are linked together by weak C-H⋯O hydrogen bonds to form dimers. ...[more]

PMID: 21201234

Similar Datasets

Ethyl 1-(4-methoxy-phen-yl)-2-nitro-3-[4-oxo-3-phenyl-1-(4-methoxy-phen-yl)azetidin-2-yl]-2,3,10,10a-tetra-hydro-1H,5H-pyrrolo[1,2-b]isoquinoline-10a-carboxyl-ate.

Project description:In the mol-ecule of the title compound, C(38)H(37)N(3)O(7), the pyrrolidine ring adopts a twist conformation and the six-membered heterocyclic ring has a boat conformation. In the crystal structure, mol-ecules are linked into a three-dimensional framework through inter-molecular C-H?O hydrogen bonds. One ethyl group is disordered over two positions with occupancies 0.67?(2)/0.33?(2).

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Ethyl 3-[1-(4-methoxy-phen-yl)-4-oxo-3-phenylazetidin-2-yl]-2-nitro-1-phenyl-2,3,10,10a-tetra-hydro-1H,5H-pyrrolo[1,2-b]isoquinoline-10a-carboxyl-ate.

Project description:In the title mol-ecule, C(37)H(35)N(3)O(6), the pyrrolidine ring adopts a twist conformation and the piperidine ring is in a distorted boat conformation. One of the phenyl rings is disordered over two positions with occupancies of 0.54?(2) and 0.46?(2) and the ethyl carboxyl-ate group is also disordered over two orientations with occupancies of 0.75?(1) and 0.25?(1).

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Project description:In the title compound, C20H19NO4, the absolute configuration (3R,4S) for the two chiral centres of the mol-ecule has been determined.

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Project description:In the title compound, C(37)H(33)BrN(4)O(6), the pyrrolidine ring adopts an envelope conformation. The ?-lactam ring is planar and makes dihedral angles of 70.16?(13) and 28.32?(13)° with the phenyl and 4-methoxy-phenyl rings, respectively. The mol-ecular packing is stabilized by intra-molecular C-H?O inter-actions and the crystal packing is determined by inter-molecular N-H?O hydrogen bonds, and C-H?O and C-H?? inter-actions.

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Project description:In the title mol-ecule, C(35)H(33)N(3)O(6), the pyrrolidine ring adopts a twist conformation. The mol-ecules are paired into centrosymmetric dimers by weak inter-molecular C-H?O hydrogen bonds. The dimers inter-act further again via C-H?O hydrogen bonds and N-H?O intramolecular interaction also stabilize the crystal packing.

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Project description:The title compound, C(27)H(22)N(2)O(4), contains a nearly planar four-membered β-lactam ring, which makes dihedral angles of 74.64 (12), 1.70 (11) and 73.67 (12)° with the nine-membered ring system, the benzene ring and the phenyl ring, respectively. The crystal structure is stabilized by C-H⋯O and C-H⋯π inter-actions and a π-π inter-action [centroid-centroid distance = 3.4505 (19) Å] is also present.

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Project description:In the title compound, C(20)H(18)N(2)O(3), the ?-lactam ring is essentially planar, having a maximum deviation of 0.0291?(15)?Å for the N atom, and perpendicular to the phenyl ring [dihedral angle = 85.55?(11)°]. The carbonitrile side chain is almost linear, the C-C-N angle being 176.8?(2)°. The crystal packing is stabilized by inter-molecular O-H?O and C-H?O inter-actions.

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Methyl 8-bromo-3-[1-(4-meth-oxy-phen-yl)-4-oxo-3-phenyl-azetidin-2-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, C30H29BrN2O5, the ?-lactam ring is essentially planar, with the O atom displaced from this plane by 0.856?(9)?Å, and forming dihedral angles of 24.35?(13) and 89.42?(14)° with the planes of the benzene substituent groups on this ring. The tetra-hydro-pyran ring adopts an envelope conformation with the C atom bearing the ?-lactam ring as the flap. In the crystal, weak C-H?O hydrogen bonds with carboxyl and tetra-hydro-pyran O-atom acceptors give rise to a chain structure extending along the b-axis direction.

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Crystal structure of ethyl 5-(3-fluoro-phen-yl)-2-[(4-fluoro-phen-yl)methyl-idene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.

Project description:In the title mol-ecule, C23H18F2N2O3S, the pyrimidine ring is in a half-chair conformation and the 3-fluoro-phenyl group is in the axial position. The thia-zole ring (r.m.s. deviation = 0.0252?Å) forms dihedral angles of 84.8?(7) and 9.6?(7)° with the 3-fluoro-substituted and 4-fluoro-substituted benzene rings, respectively. In the crystal, weak C-H?F and C-H?O hydrogen bonds connect mol-ecules, forming zigzag chains along the b axis. In addition ?-? stacking inter-actions with a centroid-centroid distance of 3.7633?(9)?Å connect these chains into ladders via inversion-related 4-fluoro-phenyl groups.

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