Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Dimethyl cis-2-methyl-3-p-tolyl-isoxazolidine-4,5-dicarboxyl-ate.

ABSTRACT: In the mol-ecule of the title compound, C(15)H(19)NO(5), the isoxazole ring adopts an envelope conformation. In the crystal structure, weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules, in which they may be effective in the stabilization of the structure.

SUBMITTER: Odabasoglu M

PROVIDER: S-EPMC2968888 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Dimethyl cis-2-methyl-3-p-tolyl-isoxazolidine-4,5-dicarboxyl-ate.

Odabaşoğlu Mustafa M Ozkan Hamdi H Yıldırır Yılmaz Y Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20090319 Pt 4

In the mol-ecule of the title compound, C(15)H(19)NO(5), the isoxazole ring adopts an envelope conformation. In the crystal structure, weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules, in which they may be effective in the stabilization of the structure. ...[more]

PMID: 21582529

Similar Datasets

Dimethyl trans-3-(4-bromo-phen-yl)-2-methyl-isoxazolidine-4,5-dicarboxyl-ate.

Project description:In the title compound, C(14)H(16)BrNO(5), the isoxazolidine ring adopts an envelope conformation, with the N atom at the flap. In the crystal, inter-molecular C-H⋯N and C-H⋯O hydrogen bonds generate R(3) (3)(18) ring motifs which are fused into a ribbon-like structure extending along the b axis.

| S-EPMC2970144 | biostudies-literature

Dimethyl cis-4-hydroxy-methyl-piperidine-2,6-dicarboxyl-ate.

Project description:The heterocyclic core of the title compound, C(10)H(17)NO(5), adopts a chair conformation with its three C substituents positioned equatorially. In the crystal, inter-molecular O-H⋯N hydrogen bonds between neighbouring mol-ecules lead to chains along b. These chains are connected by hydro-phobic inter-actions, forming infinite layers and N-H⋯O=C contacts between mol-ecules of adjacent layers give rise to a three-dimensional structure.

| S-EPMC2979220 | biostudies-literature

Dimethyl 4,5-dichlorobenzene-1,2-dicarboxyl-ate.

Project description:In the title compound, C(10)H(8)Cl(2)O(4), the two Cl atoms and one of the meth-oxy-carbonyl groups are almost coplanar [maxi-mum derivation = 0.035 (2) Å] with the benzene plane, and the other meth-oxy-carbonyl group exhibits an almost orthogonal disposition relative to the benzene plane, with a dihedral angle of 84.82 (3)° between the planes. In the crystal, the molecules are connected into a chain propagating along the [011] direction through nonclassical C-H⋯O hydrogen bonds.

| S-EPMC3297893 | biostudies-literature

Diethyl 2,6-dimethyl-4-p-tolyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(20)H(25)NO(4), the 1,4-dihydro-pyridine ring adopts a flattened-boat conformation and forms a dihedral angle of 89.77 (8)° with the benzene ring. Inter-molecular N-H⋯O hydrogen bonds result in the formation of extended chains parallel to the b axis.

| S-EPMC2970188 | 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

Dimethyl 1-cyano-methyl-1H-pyrazole-3,5-dicarboxyl-ate.

Project description:The title mol-ecule, C(9)H(9)N(3)O(4), syhthesized from 1H-pyrazole-3,5-dicarboxylic acid and 2-bromo-acetonitrile, is approximately planar; the inter-planar angles between the pyrazole ring and the mean planes of the two carboxylate units and the cyanomethyl unit are 4.49 (10), 5.56 (9) and 5.03 (19)°, respectively. In the crystal, inversion dimers linked by pairs of weak C-H ⋯O bonds occur, and the packing is further stabilized by aromatic π-π stacking [centroid-centroid separation = 3.793 (4) Å].

| S-EPMC2969226 | biostudies-literature

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

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

Dimethyl 2-(1-benzyl-2-oxoindolin-3-yl-idene)-1,3-dithiole-4,5-dicarboxyl-ate.

Project description:In the title compound, C(22)H(17)NO(5)S(2), the dithiole and oxindole rings are almost coplanar [dihedral angle = 2.71 (8)°] and the phenyl ring makes a dihedral angle of 73.65 (5)° with the oxindole ring. Inter-molecular π-π contacts between adjacent oxindole and dithiole rings [centroid-centroid distance = 3.7273 (11) Å] stabilize the crystal packing.

| S-EPMC3051557 | biostudies-literature

Dimethyl biphenyl-4,4'-dicarboxyl-ate.

Project description:The asymmetric unit of the title compound, C(16)H(14)O(4), consists of one half-mol-ecule of an essentially planar biphenyl-dicarboxylic acid ester, with the complete molecule generated by an inversion centre. The maximum deviation from a least-squares plane through all non-H atoms occurs for the peripheric methyl groups and amounts to 0.124 (2) Å. The solid represents a typical mol-ecular crystal without classical hydrogen bonds. The shortest inter-molecular contacts do not differ significantly from the sum of the van der Waals radii of the atoms involved.

| S-EPMC2969505 | 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