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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.

ABSTRACT: 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.

SUBMITTER: Sathya S

PROVIDER: S-EPMC3274974 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

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

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-other

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).

| S-EPMC4571355 | biostudies-literature

3'-Hy-droxy-methyl-1'-methyl-3'-nitro-4'-(o-tol-yl)spiro-[indoline-3,2'-pyrrolidin]-2-one.

Project description:The title compound, C(20)H(21)N(3)O(4), crystallizes with two mol-ecules in the asymmetric unit. In both mol-ecules, the pyrrolidine ring adopts an envelope conformation. The crystal structure is stabilized by inter-molecular C-H?O, N-H?O and O-H?O hydrogen bonds.

| S-EPMC3009029 | biostudies-literature

{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

(1S,2R,6R,7aS)-1,2,6-Trihy-droxy-hexa-hydro-1H-pyrrolizin-3-one.

Project description:In the title compound, C(7)H(11)NO(4), prepared via a Morita-Baylis-Hillman adduct, the five-membered ring bearing three O atoms approximates to a twisted conformation, whereas the other ring is close to an envelope, with a C atom in the flap position. The dihedral angle between their mean planes (all atoms) is 23.11?(9)°. The new stereocenters are created in a trans-diaxial configuration. In the crystal, O-H?O and O-H?(O,O) hydrogen bonds link the mol-ecules, generating a three-dimensional network. A weak C-H?O inter-action also occurs.

| S-EPMC3297312 | biostudies-literature

(7aR)-1-[(2R,5S,E)-6-Hy-droxy-5,6-dimethyl-hept-3-en-2-yl]-7a-methyl-hexa-hydro-1H-inden-4(2H)-one.

Project description:The chiral title compound, C(19)H(32)O(2), contains a [4.3.0]-bicyclic moiety in which the shared C-C bond presents a trans configuration and a side chain in which the C=C double bond shows an E conformation. The conformations of five- and six-membered rings are envelope (with the bridgehead atom bearing the methyl substituent as the flap) and chair, respectively, with a dihedral angle of 4.08?(17)° between the idealized planes of the rings. In the crystal, the mol-ecules are self-assembled via classical O-H?O hydrogen bonds, forming chains along [112]; these chains are linked by weak non-classical C-H?O hydrogen bonds, giving a two-dimensional supra-molecular structure parallel to (010). The absolute configuration was established according to the configuration of the starting material.

| S-EPMC3569753 | biostudies-literature

Bis(3-hy-droxy-methyl-anilinium) hexa-chloridostannate(IV).

Project description:In the title compound, (C(7)H(10)NO)(2)[SnCl(6)], the Sn(IV) atom, located on an inversion center, exists in an octa-hedral coordination environment. The crystal structure exhibits alternating organic and inorganic layers parallel to ([Formula: see text]01). The cations and anions are linked via inter-molecular N-H?O, N-H?Cl and O-H?Cl hydrogen bonds. Additional stabilization is provided by ?-? stacking inter-actions between the benzene rings of the cations [centroid-centroid distances = 3.6962?(15) and 3.9340?(15)?Å].

| S-EPMC3099789 | biostudies-literature

1'-Methyl-2-oxo-5'-phenyl-spiro-[indoline-3,3'-pyrrolidine]-4',4'-dicarbo-nitrile.

Project description:The title spiro-compound, C(20)H(16)N(4)O, crystallizes with four independent mol-ecules in the asymmetric unit. In all of them, the oxindole unit is planar, the r.m.s. deviations ranging from 0.07 to 0.08?Å, while the pyrrolinyl ring adopts an envelope conformation (with the N atom representing the flap). In the crystal, adjacent mol-ecules are linked by N-H?N and N-H?O hydrogen bonds.

| S-EPMC2980256 | biostudies-literature

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