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1-[2-Oxo-1'-phenyl-2',3',5',6',7',7a'-hexa-hydroindoline-3-spiro-3'-1'H-pyrrolizin-2'-yl]-3-phenyl-prop-2-en-1-one.

ABSTRACT: In the title compound, C(29)H(26)N(2)O(2), one of the pyrrolidine rings in the pyrrolizine system is disordered, with site occupancies of ca 0.55 and 0.45. Both components of the disordered pyrrolidine ring adopt envelope conformations, whereas the other pyrrolidine ring adopts a twist conformation. The mol-ecules are linked into centrosymmetric dimers by N-H?O hydrogen bonds and the dimers are connected via C-H?? inter-actions.

SUBMITTER: Nirmala S

PROVIDER: S-EPMC2960625 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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1-[2-Oxo-1'-phenyl-2',3',5',6',7',7a'-hexa-hydroindoline-3-spiro-3'-1'H-pyrrolizin-2'-yl]-3-phenyl-prop-2-en-1-one.

Nirmala S S Murugan R R Kamala E Theboral Sugi ET Sudha L L Sriman Narayanan S S

Acta crystallographica. Section E, Structure reports online 20080823 Pt 9

In the title compound, C(29)H(26)N(2)O(2), one of the pyrrolidine rings in the pyrrolizine system is disordered, with site occupancies of ca 0.55 and 0.45. Both components of the disordered pyrrolidine ring adopt envelope conformations, whereas the other pyrrolidine ring adopts a twist conformation. The mol-ecules are linked into centrosymmetric dimers by N-H⋯O hydrogen bonds and the dimers are connected via C-H⋯π inter-actions. ...[more]

PMID: 21201793

Similar Datasets

{1'-Phenyl-1',2',5',6',7',7a'-hexa-hydro-spiro-[indeno-[1,2-b]quinoxaline-11,3'-pyrrolizin]-2'-yl}(p-tol-yl)methanone.

Project description:In the title compound, C(35)H(29)N(3)O, the quinoxaline and indene systems are essentially planar, with maximum deviations of 0.047 (2) and 0.032 (2) Å for C atoms, respectively. The quinoxaline system forms a dihedral angle of 4.75 (3)° with the indene system. The pyrrolizine system is folded. The substituted five-membered ring adopts an envelope conformation. In the other five-membered ring, one C atom is disordered with a site-occupancy ratio of 0.676 (12):0.324 (12). In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds involving the bifurcated carbonyl O atom.

| S-EPMC3414925 | biostudies-literature

1',5-Dinitro-2'-phenyl-2',3',5',6',7',7a'-hexa-hydro-spiro-[indoline-3,3'-1'H-pyrrolizin]-2-one.

Project description:In the title cyclo-adduct, C(20)H(18)N(4)O(5), the rings of the pyrrolizine system adopt envelope conformations. A centrosymmetric dimer is formed via inter-molecular N-H?O hydrogen bonds between the indolinone rings.

| S-EPMC2960711 | biostudies-literature

2'-Methyl-2'-nitro-1'-phenyl-2',3',5',6',7',7a'-hexa-hydro-spiro-[indoline-3,3'-1'H-pyrrolizin]-2-one.

Project description:The title compound, C(21)H(21)N(3)O(3), was synthesized by a multi-component 1,3-dipolar cyclo-addition of azomethine ylide, derived from isatin and proline by a deca-rboxylative route, and (E)-1-phenyl-2-nitro-propene. In the mol-ecule, the spiro junction links a planar oxindole ring and a pyrrolidine ring in an envelope conformation. The mol-ecular packing is stabilized by an inter-molecular N-H⋯N inter-action of the oxindole and pyrrolizidine rings.

| S-EPMC2962120 | biostudies-literature

Crystal structure of 2'-[(2',4'-di-fluoro-biphenyl-4-yl)carbon-yl]-1'-phenyl-1',2',5',6',7',7a'-hexa-hydro-spiro-[indole-3,3'-pyrrolizin]-2(1H)-one.

Project description:In the title pyrrolizidine derivative, C33H26F2N2O2, both pyrrolidine rings of the pyrrolizidine moiety adopt an envelope conformation. The di-fluoro-phenyl group is oriented at an angle of 54.3?(1)° with respect to the oxindole moiety. The crystal packing features an N-H?O hydrogen bond, which forms an R 2 (2)(8) motif, and a C-H?O inter-action, which generates a C(8) chain along [010]. In addition, this chain structure is stabilized by C-H?? inter-actions. In one of the pyrrolidine rings, the methyl-ene group forming the flap of an envelope and the H atoms of the adjacent methyl-ene groups are disordered over two sets of sites, with site-occupancy factors of 0.571?(4) and 0.429?(4).

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3-(4-Fluoro-phenyl)-1-[1'-(4-fluoro-phenyl)-2-oxo-5',6',7',7a'-tetra-hydro-1H-indole-3(2H)-spiro-3'(2'H)-1H'-pyrrol-izin-2'-yl]prop-2-en-1-one.

Project description:In the title compound, C(29)H(24)F(2)N(2)O(2), one of the pyrrolidine rings of the pyrrolizine system is disordered over two sites, with occupancy factors 0.734:0.266?(12). Both components of the disordered pyrrolidine ring adopt envelope conformations, whereas the other pyrrolidine ring adopts a twist conformation. The mol-ecules are linked into centrosymmetric dimers by N-H?O hydrogen bonds and the dimers are connected via C-H?? inter-actions. The crystal structure is also stabilized by inter-molecular C-H?F hydrogen bonds.

| S-EPMC2960725 | biostudies-literature

2'-Hy-droxy-methyl-1'-(4-methyl-phen-yl)-2'-nitro-1',2',5',6',7',7a'-hexa-hydro-spiro-[indoline-3,3'-pyrrolizin]-2-one.

Project description:In the title compound, C(22)H(23)N(3)O(4), the tolyl ring is almost perpendicular [83.86 (7)°] to the best plane through the eight atoms of the pyrrolizidine ring system. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯O hydrogen bond. The crystal packing features inversion dimers with R(2) (2)(8) motifs linked by pairs of N-H⋯O hydrogen bonds.

| S-EPMC3274974 | biostudies-literature

Crystal structures of 2'-benzoyl-1'-(4-methyl-phenyl)-1,1',2,2',5',6',7',7a'-octa-hydro-spiro-[indole-3,3'-pyrrolizin]-2-one and 2'-(4-bromo-benzoyl)-1'-(2-chloro-phen-yl)-1,1',2,2',5',6',7',7a'-octa-hydro-spiro-[indole-3,3'-pyrrolizin]-2-one.

Project description:The two title compounds, C28H26N2O2, (I), and C27H22BrClN2O2, (II), differ in their substituents, viz.4-methyl-phenyl and benzoyl rings in (I) replaced by 2-chloro-phenyl and 4- bromo-benzoyl, respectively, in (II). A significant difference between the two mol-ecules is found in the deviation of the benzoyl O atom from the least-squares plane of the ring to which it is attached [0.593 (4) and 0.131 (3) Å, respectively], a fact which may be attributed to the different participation of the benzoyl O atoms as acceptors in their inter-molecular C-H⋯O inter-actions. The chemical modifications in (I) and (II) do not seem to affect the type nor strength of the inter-molecular N-H⋯N and C-H⋯O hydrogen bonds responsible for the two crystal structures, such that the aggregation of mol-ecules appears similar in spite of the mol-ecular changes.

| S-EPMC5095850 | biostudies-literature

1-Phenyl-3-(pyren-1-yl)prop-2-en-1-one.

Project description:The title compound, C(25)H(16)O, was prepared by the condens-ation reaction of pyrene-1-carbaldehyde and acetophenone in ethanol solution at room temperature. The phenyl ring forms a dihedral angle of 39.10?(11)° with the pyrene ring system. In the crystal structure, adjacent pyrene ring systems are linked by aromatic ?-? stacking inter-actions, with a perpendicular inter-planar distance of 3.267?(6)?Å and a centroid-centroid offset of 2.946?(7)?Å.

| S-EPMC2960839 | biostudies-literature

1-(2-Naphth-yl)-3-phenyl-prop-2-en-1-one.

Project description:The title compound, C(19)H(14)O, contains two independent mol-ecules with the same s-cis conformation for the ketone unit. Both mol-ecules are non-planar with dihedral angles of 51.9?(1) and 48.0?(1)° between the benzene ring and the naphthalene ring system. In the crystal, neighboring mol-ecules are stabilized by intermolecular C-H?? inter-actions, giving a two-dimensional supra-molecular array parallel to the ab plane.

| S-EPMC2977316 | biostudies-literature

3-Phenyl-1-(pyrrol-2-yl)prop-2-en-1-one.

Project description:The title mol-ecule, C(13)H(11)NO, is almost flat, the angle between the pyrrole and the phenyl rings being 10.9 (1)°. The atoms of the central C(3)O unit are coplanar, with a mean deviation from the plane of 0.001 (1) Å. The angles between this plane and the pyrrole and phenyl rings are 3.3 (1) and 8.0 (1)°, respectively. The mol-ecules form centrosymmetric dimers through a pair of N-H⋯O hydrogen bonds with an R(2) (2)(10) motif.

| S-EPMC2915219 | biostudies-literature

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