Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-5-fluoro-3-hydr-oxy-1-methyl-indolin-2-one methanol hemisolvate.

ABSTRACT: In the title compound, C(13)H(13)FN(4)O(3)·0.5CH(3)OH, mol-ecules are packed in the crystal structure by a series of O-H?N, N-H?O, N-H?F and O-H?O inter-molecular hydrogen bonds. The indole and creatinine units make a dihedral angle of 60.80?(4)°.

SUBMITTER: Penthala NR

PROVIDER: S-EPMC2971372 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-5-fluoro-3-hydr-oxy-1-methyl-indolin-2-one methanol hemisolvate.

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

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

In the title compound, C(13)H(13)FN(4)O(3)·0.5CH(3)OH, mol-ecules are packed in the crystal structure by a series of O-H⋯N, N-H⋯O, N-H⋯F and O-H⋯O inter-molecular hydrogen bonds. The indole and creatinine units make a dihedral angle of 60.80 (4)°. ...[more]

PMID: 21578489

Similar Datasets

3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydr-oxy-1-phenyl-indolin-2-one ethanol solvate.

Project description:In the title compound, C(18)H(16)N(4)O(3)·C(2)H(5)OH, mol-ecules are linked into chains by a series of inter-molecular N-H?O, N-H?N and O-H?O hydrogen bonds which stabilize the crystal structure. The indole and creatinine units make a dihedral angle of 56.45?(4)°. The title compound has two chiral centres. The crystal structure indicates the compound is racemic (RR and SS).

| S-EPMC2970360 | biostudies-literature

3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydroxy-indolin-2-one monohydrate.

Project description:Two chiral centres exist in the title compound, C(12)H(12)N(4)O(3)·H(2)O. Mol-ecules are linked into chains by series of inter-molecular N-H?O and O-H?N hydrogen bonds, which causes supra-molecular aggregation. Two chiral centres are formed in the title compound. The indole and creatinine moieties make a dihedral angle of 56.75?(4)°. The crystal structure of the compound indicates the presence of equimolar enantio-mers (RR and SS) in the crystal structure.

| S-EPMC2968573 | biostudies-literature

2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium chloride.

Project description:In the crystal structure of the title compound, C(4)H(8)N(3)O(+)·Cl(-), N-H⋯Cl hydrogen bonds link the components into chains along [010]. In addition, weak C-H⋯Cl hydrogen bonds link the chains into a two-dimensional network perpendicular to (001).

| S-EPMC3393986 | biostudies-literature

2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methyl-nicotinic acid.

Project description:In the title herbicideh/phytocide, known as imaza-pic, C(14)H(17)N(3)O(3), the pyridine and imidazole rings are almost coplanar [dihedral angle = 3.08?(5)°]. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, an N-H?O hydrogen bond links mol-ecules into a chain parallel to [010].

| S-EPMC3379288 | biostudies-literature

(±)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid.

Project description:In the title compound, C(15)H(19)N(3)O(3), owing to an intra-molecular O-H?N hydrogen bond, the pyridine and imidazole rings are nearly coplanar and are twisted from each other by a dihedral angle of only 0.92?(9)°. The mol-ecules are linked through inter-molecular N-H?O hydrogen bonding, forming an infinite chain parallel to the b axis.

| S-EPMC2961475 | biostudies-literature

Diaqua-bis-[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinato]cobalt(II).

Project description:In the title complex, [Co(C(13)H(14)N(3)O(3))(2)(H(2)O)(2)], the Co(II) atom has a distorted octa-hedral coordination, formed by four N atoms from two (±)-2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinate ligands and two O atoms from two water mol-ecules. Intra-molecular N-H?O and O-H?O hydrogen bonds are present. In the crystal, inter-molecular O-H?O hydrogen bonds link the complex mol-ecules into a chain along [010].

| S-EPMC3011445 | biostudies-literature

Diaqua-bis-[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl-?N)nicotinato-?N]manganese(II).

Project description:In the title compound, [Mn(C(13)H(14)N(3)O(3))(2)(H(2)O)(2)], the Mn(II) ion is coordinated by four N atoms from two (±)-2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinate ligands and two water mol-ecules in a distorted octa-hedral environment. Inter-molecular O-H?O hydrogen bonds lead to a chain along [010]. Intra-molecular N-H?O and O-H?O hydrogen bonds are observed.

| S-EPMC3011436 | biostudies-literature

7-(Hydroxy-meth-yl)-2-(1-hydr-oxy-1-methyl-ethyl)-4-meth-oxy-2,3-dihydro-5H-furo[3,2-g]chromen-5-one methanol hemisolvate.

Project description:The title compound (cimifugin), C(16)H(18)O(6)·0.5CH(3)OH, was isolated from the rhizome of Actaea asiatica Hara. The asymmetric unit contains two independent mol-ecules and a solvent methanol mol-ecule. The five-numbered ring adopts an envelope conformation in each molecule. Intra- and inter-molecular O-H?O hydrogen bonds stabilize the crystal structure.

| S-EPMC2915264 | biostudies-literature

2-[4-(4,5-Dihydro-1H-imidazol-2-yl)phen-yl]-4,5-dihydro-1H-imidazol-3-ium 4-amino-benzoate.

Project description:In the cation of the title compound, C(12)H(15)N(4) (+)·C(7)H(6)NO(2) (-), the benzene ring makes dihedral angles of 30.51?(9) and 25.64?(9)° with the imidazole and imidazolinium rings, respectively. In the crystal, inter-molecular N-H?O and N-H?N hydrogen-bonding inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC3050166 | biostudies-literature

Methyl 3-methyl-5-oxo-4-(phenyl-hydrazono)-4,5-dihydro-1H-pyrazole-1-carbodithio-ate.

Project description:The title compound, C(12)H(11)N(4)OS(2), has been synthesized by the condensation reaction of 3-oxo-2-(phenyl-hydrazono)butanate and S-methyl-dithio-carbazate. The hydrazine unit and the pyrazole ring are coplanar [dihedral angle 3.8?(4)°] due to extensive conjugation and the N-H?O=C intra-molecular hydrogen bond. Two adjacent mol-ecules form dimers due to short C-H?O=C [R(2) (2) (18)] and C-H?S=C [R(2) (2) (22)] inter-molecular inter-actions. C-H?S-C [R(2) (2) (14)] inter-actions link these dimers into ribbons in the [011] direction.

| S-EPMC2915220 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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