Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Sarrafi Y

PROVIDER: S-EPMC2960711 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Sarrafi Yaghoub Y Alimohammadi Kamal K

Acta crystallographica. Section E, Structure reports online 20080813 Pt 9

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. ...[more]

PMID: 21201723

Similar Datasets

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

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

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

{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-[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.

Project description: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.

| S-EPMC2960625 | 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

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

4'-Methyl-3-(4-nitro-phen-yl)-4-phenyl-4,5,1',2',3',4'-hexa-hydro-spiro-[isoxazole-5,2'-naphthalen]-1'-one.

Project description:The title compound, C(25)H(20)N(2)O(4), is a new spiro-isoxazoline derivative. It contains a five-membered isoxazoline ring (A), a tetra-lone unit (E and D), a 4-nitro-phenyl substituent (B), and a phenyl ring (C). The isoxazoline ring (A) has an envelope conformation, while the cyclo-hexenone ring (D) has an inter-mediate sofa/half-chair conformation. The aromatic ring of the 4-nitro-phenyl substituent (B) is inclined at an angle of 78.97 (10)° to the phenyl ring (C). The rigid pharmacophore site, Osp(2)-C-C-Osp(3), is characterized by an O⋯O distance of 3.113 (2) Å and an O-C-C-O torsion angle of 97.8 (2)°. In the crystal structure, mol-ecules are linked by C-H⋯O contacts.

| S-EPMC2960307 | biostudies-literature

(1S,2E,6R,7aR)-2-Benzyl-idene-1,6-dihy-droxy-2,3,5,6,7,7a-hexa-hydro-1H-pyrrolizin-3-one.

Project description:In the title compound, C(14)H(15)NO(3), the conformation of the double bond was determined to be E, confirming the result obtained from two-dimensional NMR data. The five-membered rings of the pyrrolizine unit exhibit C-envelope conformations, with C atoms displaced from the mean planes formed by the remaining rings atoms by 0.1468 (15) and 0.5405 (17) Å. The mean planes of these rings (through all ring atoms) have a dihedral angle of 49.03 (10)°. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds. The absolute configuration of the mol-ecule was established, as judged by the, as judged by the obtained values for the Hooft and Flack parameters.

| S-EPMC3344667 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data