Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 4-anilino-2',5-dioxo-1',2'-di-hydro-5H-spiro-[furan-2,3'-indole]-3-carboxyl-ate.

ABSTRACT: In the title compound, C19H14N2O5, the spiro junction links an oxindole moeity and a furan ring, which subtend a dihedral angle of 83.49?(6)°. The mol-ecular structure features an N-H?O hydrogen bond, which generates an S(6) ring motif. The crystal packing is governed by two N-H?O inter-actions, one of which generates a centrosymmetric R 2 (2)(14) dimer. The other N-H?O inter-action along with a C-H?O hydrogen bond contributes to the formation of a C 2 (2)[R 2 (2)(9)] dimeric chain running along the b-axis direction.

SUBMITTER: Gangadharan R

PROVIDER: S-EPMC3772486 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 4-anilino-2',5-dioxo-1',2'-di-hydro-5H-spiro-[furan-2,3'-indole]-3-carboxyl-ate.

Gangadharan Rajeswari R Sethusankar K K Kiruthika Selvarangam E SE Perumal P T PT

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

In the title compound, C19H14N2O5, the spiro junction links an oxindole moeity and a furan ring, which subtend a dihedral angle of 83.49 (6)°. The mol-ecular structure features an N-H⋯O hydrogen bond, which generates an S(6) ring motif. The crystal packing is governed by two N-H⋯O inter-actions, one of which generates a centrosymmetric R 2 (2)(14) dimer. The other N-H⋯O inter-action along with a C-H⋯O hydrogen bond contributes to the formation of a C 2 (2)[R 2 (2)(9)] dimeric chain running along ...[more]

PMID: 24046629

Similar Datasets

Methyl 4-(4-bromo-anilino)-2',5-dioxo-5H-spiro-[furan-2,3'-indoline]-3-carboxyl-ate.

Project description:In the title compound, C19H13BrN2O5, the spiro furan ring is almost planar with a maximum deviation of 0.034 (2) Å. The indole unit and the furan ring are normal to each other, making a dihedral angle of 87.82 (8) °. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers enclosing R (2) 2(8) ring motifs.

| S-EPMC3998355 | biostudies-literature

Ethyl 2-amino-7,7-dimethyl-2',5-dioxo-spiro-[5,6,7,8-tetra-hydro-4H-chromene-4,3'(2'H)-1H-indole]-3-carboxyl-ate.

Project description:In the mol-ecule of the title compound, C(21)H(22)N(2)O(5), the indole system and the spiro-pyran ring are almost planar [maximum deviations of 0.0447?(17) and 0.0781?(17)?Å, respectively]; the dihedral angle between them is 84.6?(3)°. The remaining six-membered ring adopts a twisted conformation. Intra-molecular N-H?O hydrogen bonds occur. In the crystal structure, intera-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules.

| S-EPMC2979861 | biostudies-other

Methyl 4'-benzyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate.

Project description:In the isoquinoline ring system of the title mol-ecule, C(22)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The least-squares plane of the dioxa-2-aza-spiro ring [maximum deviation = 0.076?(1)?Å] and forms a dihedral angle of 14.54?(4)° with the phenyl ring. In the crystal, mol-ecules are linked via inter-molecular C-H?O hydrogen bonds into layers parallel to (100).

| S-EPMC3120312 | biostudies-literature

Ethyl 4-methyl-1,3-dioxo-1,2,3,4-tetra-hydro-isoquinoline-4-carboxyl-ate.

Project description:In the title compound, C(13)H(13)NO(4), the fused-ring system is nearly planar, with an r.m.s. deviation of 0.0408 Å. In the crystal, mol-ecules are linked into centrosymmetric dimers by a pair of N-H⋯O hydrogen bonds. The ethyl group is disordered over two positions in a ratio of 0.758 (6):0.242 (6).

| S-EPMC3297938 | biostudies-literature

Ethyl 2-[4-(benzyloxy)anilino]-4-oxo-4,5-dihydro-furan-3-carboxyl-ate.

Project description:In the title compound, C(20)H(19)NO(5), the dihydro-furan ring is almost planar [maximum deviation of 0.021 (2)°] and makes dihedral angles of 28.1 (7) and 54.5 (5)° with the benzyl and phenyl-amino rings, respectively. The mol-ecular packing is stabilized by intra-molecular N-H⋯O hydrogen bonds and inter-molecular C-H⋯O inter-actions.

| S-EPMC2960036 | biostudies-literature

Crystal structure of ethyl 1',5-dimethyl-2'',3-dioxo-3H-di-spiro-[benzo[b]thiophene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate.

Project description:The title compound, C23H22N2O4S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They have very similar conformations with the pyrrolidine ring having a twisted conformation, on the Cspiro-Cspiro bond, in both mol-ecules. In mol-ecule A, the mean planes of the benzo-thio-phene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 87.59 (10) and 84.51 (11)°, respectively, and to one another by 72.69 (7)°. The corresponding angles in mol-ecule B are 87.15 (10), 84.58 (10) and 72.07 (7)°, respectively. In the crystal, the A and B mol-ecules are linked to one another by two N-H⋯O hydrogen bonds, forming a dimer. These dimers are linked via C-H⋯O hydrogen bonds, forming a three-dimensional structure.

| S-EPMC4350727 | biostudies-literature

Methyl 2,2'-dimethyl-4'-[2-(methyl-sulfan-yl)eth-yl]-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[isoquinoline-4,5'-oxazole]-4'-carboxyl-ate.

Project description:In the isoquinoline ring system of the title mol-ecule, C(18)H(20)N(2)O(5)S, the fused N-heterocyclic ring is distorted towards a half-boat conformation. The methyl formate moiety is disordered over two sets of sites with refined occupancies of 0.882 (5) and 0.118 (5). In the crystal, mol-ecules are linked via weak inter-molecular C-H⋯O hydrogen bonds into one-dimensional chains along [010].

| S-EPMC3200713 | biostudies-literature

Ethyl 9-fluoro-5,12-dioxo-5,12-dihydro-indolizino[2,3-g]quinoline-6-carboxyl-ate.

Project description:In the title mol-ecule, C(18)H(11)FN(2)O(4), the fused four- ring system is essentially planar, with an r.m.s. deviation of 0.032 Å. In the crystal, mol-ecules are connected by π-π stacking inter-actions [centroid-centroid distances = 3.5684 (9) and 3.8247 (9) Å] into chains along [100].

| S-EPMC3414993 | biostudies-literature

Crystal structure of ethyl 1',1''-dimethyl-2'',3-dioxo-3H-di-spiro-[benzo[b]thio-phene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate.

Project description:In the title compound, C23H22N2O4S, the pyrrolidine ring has an envelope conformation with the spiro C atom, shared with the indoline ring system, as the flap. The mean planes of the benzo-thio-phene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 88.81 (8) and 79.48 (8)°, respectively, and to each other by 68.12 (5)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming chains propagating along [001].

| S-EPMC4350758 | biostudies-literature

Methyl 4'-isobutyl-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H,4'H-spiro-[iso-quinoline-4,5'-oxazole]-4'-carboxyl-ate.

Project description:In the isoquinoline ring system of the title mol-ecule, C(19)H(22)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro ring is essentially planar [maximum deviation = 0.042?(1)?Å] and forms a dihedral angle of 81.85?(4)° with the benzene ring. In the crystal, the mol-ecules are linked via inter-molecular C-H?O hydrogen bonds into chains along [010].

| S-EPMC3120529 | biostudies-other

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