Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dimethyl 2,6,8-trimethyl-1,2-dihydroquinoline-2,4-dicarboxylate.

ABSTRACT: The title compound, C(16)H(19)NO(4), the hydrogenated ring adopts a twisted conformation. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(10) dimers. These dimers are further connected via inter-molecular N-H?O hydrogen bonds, forming infinite double chains along [001].

SUBMITTER: Gultekin Z

PROVIDER: S-EPMC3009270 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Dimethyl 2,6,8-trimethyl-1,2-dihydroquinoline-2,4-dicarboxylate.

Gültekin Zeynep Z Frey Wolfgang W Tercan Barış B Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

The title compound, C(16)H(19)NO(4), the hydrogenated ring adopts a twisted conformation. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(10) dimers. These dimers are further connected via inter-molecular N-H⋯O hydrogen bonds, forming infinite double chains along [001]. ...[more]

PMID: 21589070

Similar Datasets

Dimethyl 6-acetyl-2-methyl-1,2-dihydroquinoline-2,4-dicarboxyl-ate.

Project description:In the title compound, C(16)H(17)NO(5), the dihydro-pyridine ring adopts a sofa conformation. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains running along the b axis.

| S-EPMC3295408 | biostudies-literature

6-Chloro-2,4-bis-(dimethyl-amino)-1,3,5-trimethyl-borazine.

Project description:The borazine ring of the title mol-ecule, C(7)H(21)B(3)ClN(5), shows a mild distortion from a planar to a flattened boat conformation. Steric effects due to the methyl and dimethyl-amine substituents appear to be the cause of this distortion.

| S-EPMC3569828 | biostudies-literature

Dimethyl 2-methyl-1,2-dihydro-quinoline-2,4-dicarboxyl-ate.

Project description:In the crystal of the title compound, C(14)H(15)NO(4), pairs of inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(10) dimers. These dimers are further connected via inter-molecular C-H⋯O hydrogen bonds, forming a three-dimensional network. The heterocyclic ring adopts a twisted conformation.

| S-EPMC3052156 | biostudies-literature

Activation of cryptic metabolite production through gene disruption: Dimethyl furan-2,4-dicarboxylate produced by Streptomyces sahachiroi.

Project description:At least 65% of all small molecule drugs on the market today are natural products, however, re-isolation of previously identified and characterized compounds has become a serious impediment to the discovery of new bioactive natural products. Here, genetic knockout of an unusual non-ribosomal peptide synthetase (NRPS) C-PCP-C module, aziA2, is performed resulting in the accumulation of the secondary metabolite, dimethyl furan-2,4-dicarboxylate. The cryptic metabolite represents the first non-azinomycin related compound to be isolated and characterized from the soil bacterium, S. sahachiroi. The results from this study suggest that abolishing production of otherwise predominant natural products through genetic knockout may constitute a means to "activate" the production of novel secondary metabolites that would otherwise lay dormant within microbial genome sequences.

| S-EPMC3778384 | biostudies-literature

Ethyl 2,4-dimethyl-pyrido[1,2-a]benz-imidazole-3-carboxyl-ate.

Project description:The title compound, C(16)H(16)N(2)O(2), was synthesized using a novel tandem annulation reaction between 1-(1H-benzo[d]imidazol-2-yl)ethanone and ethyl (E)-4-bromo-but-2-enoate under mild conditions. The dihedral angles formed by the mean plane of the five-membered imidazole ring with the dihydro-pyridin and benzene rings are 1.54?(9) and 1.85?(9)°, respectively.

| S-EPMC3470386 | biostudies-literature

Dimethyl 8-acetyl-2-methyl-1,2-dihydro-quinoline-2,4-dicarboxyl-ate.

Project description:In the title compound, C(16)H(17)NO(5), the six-membered N-containing ring has a half-boat form; the spiro C atom deviates by 0.34 (2) Å from the plane (r.m.s. deviation = 0.051 Å) defined by the N and four aromatic C atoms. Intra-molecular N-H⋯O hydrogen bonding generates an S(6) ring motif and the dihedral angle between the mean plane though the S(6) ring and that through the five-atom half-boat plane is 3.39 (2)°. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into zigzag chains along [001] due to c-glide symmetry, and C-H⋯π inter-actions extend along [010].

| S-EPMC3052105 | biostudies-literature

2,4-Bis(dimethyl-amino)-1,3,5-trimethyl-6-(nitro-oxy)borazine.

Project description:In the title compound, C7H21B3N6O3, the r.m.s. deviation of the borazine ring atoms is 0.019?Å. The dimethyl-amino groups are orientated at 41.80?(7) and 36.43?(7)° with respect to the borazine ring. The nitro-oxy group is almost normal to the borazine ring [dihedral angle = 85.33?(14)°]. The methyl C atom trans to the NO3 group is displaced by -0.512?(3)?Å from the ring plane, whereas the two ortho-methyl C atoms are displaced by 0.239?(3) and 0.178?(3)?Å.

| S-EPMC3647835 | biostudies-other

Dimethyl 6-bromo-2-methyl-1,2-di-hydro-quinoline-2,4-dicarboxyl-ate.

Project description:In the title compound, C(14)H(14)BrNO(4), the dihydro-pyridine ring adopts a screw-boat conformation. In the crystal, pairs of N-H?O hydrogen bonds link the mol-ecules into inversion R(2) (2)(10) dimers.

| S-EPMC3295485 | biostudies-literature

Dimethyl 5,6,7-trimeth-oxy-2-methyl-1,2-dihydro-quinoline-2,4-dicarboxyl-ate.

Project description:In the title compound, C(17)H(21)NO(7), the dihydro-pyridine ring assumes a screw-boat conformation. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules, forming supra-molecular chains running along the b axis.

| S-EPMC3051996 | biostudies-literature

Dimethyl 6-iodo-2-methyl-1,2-di-hydro-quinoline-2,4-di-carboxyl-ate.

Project description:In the title compound, C14H14INO4, the di-hydro-pyridine ring adopts a twist conformation. In the crystal, pairs of N-H?O and C-H?O hydrogen bonds link the mol-ecules into inversion R 2 (2)(10) and R 2 (2)(18) dimers, forming infinite double chains running along the c axis.

| S-EPMC3884475 | 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