Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Trans-4-[(2,6-Dimethyl-phen-oxy)methyl]cyclo-hexa-necarboxylic acid.

ABSTRACT: The title compound, C(16)H(22)O(3), is a useful inter-mediate in the synthesis of poly(amido-amine) dendrimers. The cyclo-hexane ring adopts a chair conformation. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by pairs of O-H?O hydrogen bonds.

SUBMITTER: Zhang CH

PROVIDER: S-EPMC2960144 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

trans-4-[(2,6-Dimethyl-phen-oxy)methyl]cyclo-hexa-necarboxylic acid.

Zhang Chun-Hong CH Li Zi-Cheng ZC Song Hang H Huang Wen-Cai WC

Acta crystallographica. Section E, Structure reports online 20081108 Pt 12

The title compound, C(16)H(22)O(3), is a useful inter-mediate in the synthesis of poly(amido-amine) dendrimers. The cyclo-hexane ring adopts a chair conformation. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by pairs of O-H⋯O hydrogen bonds. ...[more]

PMID: 21581244

Similar Datasets

rac-4-(2-Meth-oxy-phen-yl)-2,6-dimethyl-cyclo-hex-3-ene-carb-oxy-lic acid.

Project description:The title compound, C(16)H(20)O(3), was synthesized to study the hydrogen-bonding inter-actions of the two enanti-omers in the solid state. Inter-molecular O-H⋯O hydrogen bonds produce centrosymmetric R(2) (2)(8) rings which dimerize the two chiral enanti-omers together through their carboxyl groups.

| S-EPMC2979589 | biostudies-literature

e,e-trans-Cyclo-hexane-1,4-carb-oxy-lic acid-hexa-methyl-ene-tetra-mine (1/2).

Project description:The asymmetric unit of the title compound, 2C(6)H(12)N(4)·C(8)H(12)O(4), contains one half-mol-ecule of e,e-trans-cyclo-hexane-1,4-dicarb-oxy-lic acid (the complete molecule being generated by inversion symmetry) and one mol-ecule of hexa-methyl-ene-tetra-mine (HMTA), which are connected by O-H?N hydrogen bonds. This forms isolated trimers that pack in a herringbone fashion.

| S-EPMC3051586 | biostudies-literature

2,6-Bis(2,4-dimethyl-benzyl-idene)cyclo-hexa-none.

Project description:In the crystal structure of the title compound, C(24)H(6)O, the mol-ecule exhibits point symmetry m but the mirror plane is not utilized as part of the space-group symmetry. The structure contains face-to-face inter-actions between the 2,4-dimethyl-benzyl-idene substituents in which the methyl groups lie directly above the centroids of adjacent benzene rings.

| S-EPMC2979581 | biostudies-literature

4-(3-Methoxy-phen-yl)-2,6-dimethyl-cyclo-hex-3-enecarboxylic acid.

Project description:The racemic title compound, C(16)H(20)O(3), was synthesized to study the hydrogen-bonding inter-action of the two enanti-o-mers in the solid state. In the crystal structure, R and S pairs of the racemate are linked by pairs of inter-molecular O-H⋯O hydrogen bonds, producing centrosymmetric R(2) (2)(8) rings.

| S-EPMC2979377 | biostudies-literature

9-(2,6-Dimethyl-phen-oxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate.

Project description:In the crystal structure of the title compound, C(23)H(20)NO(2) (+)·CF(3)SO(3) (-), adjacent cations are linked through a network of C-H?? and ?-? inter-actions, and neighboring cations and anions via C-H?O inter-actions. The acridine and benzene ring systems are oriented at a dihedral angle of 31.4?(1)°. The carboxyl group is twisted at an angle of 66.3?(1)° relative to the acridine skeleton. The mean planes of the adjacent acridine moieties are parallel in the crystal structure.

| S-EPMC3009356 | biostudies-literature

Racemic 4-(4-tert-butyl-phen-yl)-2,6-dimethyl-cyclo-hex-3-enecarboxylic acid.

Project description:The chirality of the title compound, C(19)H(26)O(2), is solely generated by the presence of the double bond in the cyclo-hexene ring. This compound was synthesized to study the inter-action of the two enanti-omers in the solid state. The resultant racemate is made up of carboxylic acid RS dimers. Inter-molecular O-H?O hydrogen bonds produce centrosymmetric R(2) (2)(8) rings which dimerize the two chiral enanti-omers through their carboxyl groups.

| S-EPMC2960795 | biostudies-literature

Crystal structure of dimethyl 2,5-bis-[(di-phen-oxy-phosphor-yl)-oxy]cyclo-hexa-1,4-diene-1,4-di-carboxyl-ate.

Project description:In the title compound, C34H30O12P2, which was synthesized via the esterification of dimethyl 2,5-dioxo-1,4-cyclo-hexa-nedi-carboxyl-ate with diphenyl chloro-phosphate, the mol-ecule has crystallographic inversion symmetry. The dihedral angles between the plane of the cyclo-hexa-1,4-diene ring and those of the two benzene rings of the substituent phosphate groups are 41.0?(1) and 89.5?(1)°, while that with the ester group is 3.1?(3)°. In the crystal, only weak inter-molecular C-H?O hydrogen bonds are present.

| S-EPMC4459327 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)-2-methyl-benzamide.

Project description:In the title mol-ecule, C(16)H(17)NO, the N-H and C=O groups are in the anti-periplanar conformation that has been observed in related compounds. Furthermore, the conformation of the C=O group with respect to the methyl substituent in the 2-methyl-phenyl ring is syn, as has also been observed in related structures. The amide group makes dihedral angles of 50.3?(3) and 64.6?(3)° with the 2-methyl-phenyl and 2,6-dimethyl-phenyl rings, respectively, while the angle between the planes of the two rings is 14.26?(7)°. The mol-ecules are packed into chains via N-H?O hydrogen bonds. An intramolecular C-H?O hydrogen bond is also observed.

| S-EPMC2962217 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)-4-methyl-benzamide.

Project description:In the mol-ecular structure of the title compound, C(16)H(17)NO, the two aromatic rings are close to orthogonal to each other [dihedral angle 78.8?(1)°], while the central -NH-C(=O)- amide core is nearly coplanar with the benzoyl ring, forming a dihedral angle of 3.5?(2)°. Inter-molecular N-H?O hydrogen bonds in the crystal structure link the mol-ecules into infinite chains running along the c axis of the crystal, and a C-H?O interaction also occurs.

| S-EPMC2969511 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)-2-methyl-acetamide.

Project description:The structure of the title compound (26DMPMA), C(11)H(15)NO, is closely related to the side-chain unsubstituted N-(2,6-dimethyl-phen-yl)acetamide and side-chain substituted N-(2,6-dimethyl-phen-yl)-2,2,2-trimethyl-acetamide and 2-chloro-N-(2,6-dimethyl-phen-yl)acetamide, with slightly different bond parameters. The mol-ecules in 26DMPMA are linked into chains through N-H⋯O hydrogen bonding.

| S-EPMC2960394 | 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