Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Rac-2-(2-Amino-4-oxo-4,5-dihydro-1,3-thia-zol-5-yl)-2-hydroxy-indane-1,3-dione.

ABSTRACT: In the crystal of the title compound, C(12)H(8)N(2)O(4)S, mol-ecules are linked into chains by a series of inter-molecular O-H?O, N-H?O and N-H?N hydrogen bonds. The ninhydrin and amino-thia-zolidine units make a dihedral angle of 66.41?(3)°. The crystal structure indicates the presence of equimolar R and S enanti-omers in the crystal lattice, due to the presence of a chiral centre in the title compound.

SUBMITTER: Penthala NR

PROVIDER: S-EPMC2977222 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

rac-2-(2-Amino-4-oxo-4,5-dihydro-1,3-thia-zol-5-yl)-2-hydroxy-indane-1,3-dione.

Penthala Narsimha Reddy NR Reddy Thirupathi Reddy Yerram TR Parkin Sean S Crooks Peter A PA

Acta crystallographica. Section E, Structure reports online 20090718 Pt 8

In the crystal of the title compound, C(12)H(8)N(2)O(4)S, mol-ecules are linked into chains by a series of inter-molecular O-H⋯O, N-H⋯O and N-H⋯N hydrogen bonds. The ninhydrin and amino-thia-zolidine units make a dihedral angle of 66.41 (3)°. The crystal structure indicates the presence of equimolar R and S enanti-omers in the crystal lattice, due to the presence of a chiral centre in the title compound. ...[more]

PMID: 21583571

Similar Datasets

Methyl (Z)-3-({5-[(E)-(tert-butyl-amino)-methyl-idene]-4-oxo-4,5-dihydro-1,3-thia-zol-2-yl}sulfan-yl)prop-2-enoate.

Project description:In the title compound, C(12)H(16)N(2)O(3)S(2), the S-vinyl, and tert-butyl-enamine fragments make dihedral angles of 14.19 (2) and 0.85 (2)°, respectively, with the thia-zole ring. In the crystal, mol-ecules are linked into chains with graph-set motifs C(5) along [100] by C-H⋯O inter-actions. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond.

| S-EPMC3007924 | biostudies-literature

Chlorido[1-(4,5-dihydro-1,3-thia-zol-2-yl-κN)ethanone thio-semicarbazonato-κN,S]nickel(II).

Project description:In the title compound, [Ni(C(6)H(9)N(4)S(2))Cl], the Ni atom is in a slightly distorted square-planar environment coordinated by a Cl atom and a deprotonated thio-semicarbazone ligand via its thia-zoline N, azomethine N and thiol-ate S atoms. Short inter-molecular N-H⋯Cl and C-H⋯S contacts are present in the crystal structure.

| S-EPMC3050191 | biostudies-literature

N-(2,3-Dihydro-1,3-thia-zol-2-yl-idene)-4-[(2-hydroxy-benzyl-idene)amino]benzene-sulfonamide.

Project description:The title compound, C(16)H(13)N(3)O(3)S(2), was prepared by reaction of salicylaldehyde and sulfathia-zole in methanol. The dihedral angle between the central benzene ring and the thia-zole ring is 85.2 (2)° and that between the two benzene rings is 17.9 (2)°. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are held together by inter-molecular N-H⋯N and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

| S-EPMC2969909 | biostudies-literature

Crystal structure of methyl 2-hy-droxy-5-[(4-oxo-4,5-di-hydro-1,3-thia-zol-2-yl)amino]benzoate.

Project description:The title compound, C11H10N2O4S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They differ primarily in the rotational orientation of the five-membered heterocyclic ring. In mol-ecule A this ring is inclined to the benzene ring by 48.17?(8)°, while in mol-ecule B the same dihedral angle is 23.07?(8)°. In each mol-ecule there is an intra-molecular O-H?O hydrogen bond involving the adjacent hydroxyl group and the ester carbonyl O atom. In the crystal, the A mol-ecules are linked via pairs of N-H?N hydrogen bonds, forming inversion dimers. These dimers are linked to the B mol-ecules via N-H.·O, C-H?O and C-H?S hydrogen bonds forming corrugated sheets lying parallel to (102).

| S-EPMC4420109 | biostudies-literature

N-Phenyl-4-(8-phenyl-4,5-dihydro-1,2-benzoxazolo[4,5-d]thia-zol-2-yl)piperidine-1-carboxamide.

Project description:In the title molecule, C(26)H(24)N(4)O(2)S, the dihedral angle between the isoxazole ring and the adjoining benzene ring is 21.4?(5)°, and between the isoxazole ring and the thia-zole ring is 14.3?(4)°. The piperidine ring is in a chair conformation. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O and weak C-H?O hydrogen bonds into one-dimensional chains along [001].

| S-EPMC2969371 | biostudies-literature

2-[4-tert-Butyl-5-(2-chloro-benz-yl)-1,3-thia-zol-2-yl]isoindoline-1,3-dione.

Project description:In the title compound, C(22)H(19)ClN(2)O(2)S, the dihedral angle between the phenyl-ene ring and the phthalimide ring system is 4.4?(1)°. There is no hydrogen bonding or ?-? stacking in the crystal structure.

| S-EPMC3009081 | biostudies-literature

Ethyl 2-(4-chloro-2-oxo-2,3-dihydro-1,3-benzothia-zol-3-yl)acetate.

Project description:In the mol-ecule of the title compound, C(11)H(10)ClNO(3)S, the benzene and thia-zole rings are oriented at a dihedral angle of 1.25 (3)°. Intra-molecular C-H⋯O and C-H⋯Cl inter-actions result in the formation of two five-membered rings which both adopt envelope conformations.

| S-EPMC2969022 | biostudies-literature

4-Oxo-1,4-dihydro-benzo[h][1,3]thia-zeto[3,2-a]quinoline-1,3-dicarb-oxy-lic acid.

Project description:In the title mol-ecule, C(16)H(9)NO(5)S, there is an intra-molecular O-H⋯O hydrogen bond involving the quinolone carbonyl O atom and a carboxyl OH group. In the crystal, inter-molecular O-H⋯O hydrogen bonds between the carbonyl group of the quinolone carboxyl group, and a second carboxyl group on the thia-zeto moiety lead to the formation of chains propagating along [201] and perpendicular to the π-stacks of mol-ecules.

| S-EPMC3051750 | biostudies-literature

4-[(2,5-Dimethyl-1,3-thia-zol-4-yl)meth-yl]-4-hydr-oxy-2-methyl-isoquinoline-1,3(2H,4H)-dione.

Project description:In the title isoquinoline-dione compound, C(16)H(16)N(2)O(3)S, the piperidine ring in the tetra-hydro-isoquinoline ring system adopts a half-boat conformation. The essentially planar thia-zole ring [maximum deviation = 0.007?(2)?Å] makes a dihedral angle of 34.49?(7)° with the mean plane through the tetra-hydro-isoquinoline ring system. In the crystal structure, two neighbouring mol-ecules are linked via pairs of O-H?N and C-H?O hydrogen bonds into inversion-related dimers incorporating R(2) (2)(9) hydrogen-bond ring motifs. These dimers are further linked by weak inter-molecular C-H?? inter-actions.

| S-EPMC2983771 | biostudies-literature

N-(1,3-Thia-zol-2-yl)benzamide.

Project description:The title compound, C(10)H(8)N(2)OS, features a nonplanar mol-ecule [dihedral angle between the two aromatic rings = 43.6 (1)°]. Two mol-ecules are linked by N-H⋯N hydrogen bonds about a centre of inversion, giving rise to a hydrogen-bonded dimer.

| S-EPMC2969069 | 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