Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2,5-Dimethyl-phen-oxy)ethanol.

ABSTRACT: There are two independent mol-ecules in the asymmetric unit of the title phen-oxy-ethanol derivative, C10H14O2, Each molecule has an approximately planar structure except for the hy-droxy groups (r.m.s. deviations = 0.0281 and 0.0144?Å). The ethyl-enedi-oxy groups have a gauche conformation. In the crystal, the mol-ecules form O-H?O hydrogen-bonded chains along the a axis.

SUBMITTER: Ukai M

PROVIDER: S-EPMC3588424 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(2,5-Dimethyl-phen-oxy)ethanol.

Ukai Miho M Okuno Tsunehisa T

Acta crystallographica. Section E, Structure reports online 20130228 Pt 3

There are two independent mol-ecules in the asymmetric unit of the title phen-oxy-ethanol derivative, C10H14O2, Each molecule has an approximately planar structure except for the hy-droxy groups (r.m.s. deviations = 0.0281 and 0.0144 Å). The ethyl-enedi-oxy groups have a gauche conformation. In the crystal, the mol-ecules form O-H⋯O hydrogen-bonded chains along the a axis. ...[more]

PMID: 23476623

Similar Datasets

Ethyl 2-(4-benzoyl-2,5-dimethyl-phen-oxy)acetate.

Project description:The title compound, C(19)H(20)O(4), was synthesized via a Fries rearrangement of hydr-oxy benzophenone. The dihedral angle between the least-squares planes of the two benzene rings is 69.04?(11)°. The mol-ecular structure displays an intra-molecular non-classical C-H?O hydrogen bond.

| S-EPMC2971156 | biostudies-literature

4-Dimethyl-amino-1-(4-meth-oxy-phen-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile.

Project description:In the title compound, C14H13N3O3, a twist occurs, as seen in the dihedral angle of 53.60?(12)° between the pyrrole and benzene rings. A three-dimensional architecture is formed in the crystal whereby layers of mol-ecules in the ac plane are connected by C-H?O and C-H?? inter-actions.

| S-EPMC3588536 | biostudies-literature

3,4-Bis[4-(4-meth-oxy-phen-oxy)phen-yl]-2,5-dihydro-furan-2,5-dione.

Project description:In the crystal structure of the title compound, C(30)H(22)O(7), neighbouring benzene rings are twisted out of the plane of the five-membered ring by 27.30?(3) and 45.47?(3)°.

| S-EPMC3120473 | biostudies-literature

(4-Hydr-oxy-2,5-dimethyl-phen-yl)phenyl-methanone.

Project description:The title compound, C(15)H(14)O(2), was obtained by Friedel-Crafts acyl-ation between 2,5-dimethyl-phenol and benzoyl chloride in the presence of aluminium chloride as a catalyst. The dihedral angle between the benzene rings is 61.95?(4)°. In the crystal, O-H?O hydrogen bonding and C-H?O weak inter-actions lead to polymeric C(6), C(8) and C(11) chains along the a, b and c-axis directions, respectively.

| S-EPMC2971310 | biostudies-other

(2E)-3-(3,4-Dimeth-oxy-phen-yl)-1-(2,5-dimethyl-thio-phen-3-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title compound, C(17)H(18)O(3)S, is essentially planar: the phenyl and thio-phene rings form a dihedral angle of 2.79?(10)° and they are inclined to the central propenone unit by 6.20?(15) and 4.78?(15)°, respectively. In the crystal, mol-ecules are connected into dimers via pairs of C-H?O inter-actions, generating R(2) (2)(14) motifs. ?-? stacking inter-actions between the thio-phene rings also occur, with a centroid-centroid distance of 3.8062?(12)?Å.

| S-EPMC3007254 | 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

2,5-Dimethyl-hexane-2,5-diyl bis-(4-nitro-phen-yl) dicarbonate.

Project description:The title structure, C(22)H(24)N(2)O(10), contains two independent centrosymmetric mol-ecules. The only significant difference between the mol-ecules is the dihedral angle between the unique carbonate group (-O-CO(2)-) and the benzene ring, the values being 77.35 (8) and 66.42 (8)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2960943 | biostudies-literature

2,2,2-Trichloro-N-(2,5-dimethyl-phen-yl)acetamide.

Project description:The N-H bond in the title compound, C(10)H(10)Cl(3)NO, is syn to the 2-methyl and anti to the 5-methyl substituent of the aromatic ring. Adjacent mol-ecules are linked into chains through N-H?O hydrogen bonding. Two Cl atoms are each disordered equally over two sites.

| S-EPMC2961108 | biostudies-literature

N-(2,5-Dimethyl-phen-yl)succinamic acid monohydrate.

Project description:In the title compound, C(12)H(15)NO(3)·H(2)O, the conformation of the N-H bond in the amide segment is syn to the ortho-methyl group and anti to the meta-methyl group in the benzene ring. Further, the conformations of the amide O and the carbonyl O atom of the acid segment are anti to the adjacent methyl-ene H atoms. The C=O and O-H bonds of the acid group are syn to one another. The structure shows an inter-esting hydrogen-bonding pattern with the water mol-ecule forming hydrogen bonds with three different mol-ecules of the compound. In the crystal, mol-ecules are packed into infinite chains through inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC3212274 | biostudies-literature

N-(2,5-Dimethyl-phen-yl)-2-methyl-benzamide.

Project description:In the title compound, C(16)H(17)NO, the two aromatic rings are almost coplanar, making a dihedral angle of 1.9 (2)°. The amide group makes dihedral angles of 48.0 (3) and 48.6 (3)° with the 2-methyl-phenyl and the 2,5-dimethyl-phenyl rings, respectively. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains running along the a axis of the crystal.

| S-EPMC2983932 | 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