Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Phenoxy-pyrimidine.

ABSTRACT: There are two molecules in the asymmetric unit of, C(10)H(8)N(2)O, with dihedral angles between the aromatic ring planes of 75.9?(1) and 79.3?(1)°.

SUBMITTER: Shah Bakhtiar N

PROVIDER: S-EPMC2968036 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Phenoxy-pyrimidine.

Shah Bakhtiar Nasir N Abdullah Zanariah Z Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20081213 Pt 1

There are two molecules in the asymmetric unit of, C(10)H(8)N(2)O, with dihedral angles between the aromatic ring planes of 75.9 (1) and 79.3 (1)°. ...[more]

PMID: 21581576

Similar Datasets

4-Amino-2-phenoxy-pyrimidine.

Project description:In the title compound, C(10)H(9)N(3)O, the organic rings linked to the ether O atom make a dihedral angle of 76.8?(1)° and the C-O-C angle is widened to 119.07?(15)°. In the crystal, adjacent mol-ecules are connected by an N-H?N hydrogen bond, generating a chain running parallel to the b axis. The crystal is a non-merohedral twin with a ratio of twin components of 0.508?(3):0.492?(3).

| S-EPMC2977475 | biostudies-literature

2-Phenoxy-acetohydrazide.

Project description:In the title compound, C(8)H(10)N(2)O(2), the acetohydrazide group is almost planar, with an r.m.s. deviation of 0.028?Å. In the crystal, the mol-ecules are linked by inter-molecular C-H?O, N-H?O and N-H?N hydrogen bonds into infinite sheets lying parallel to (001). The acetohydrazide O atom accepts two N-H?O links and one C-H?O link.

| S-EPMC2980090 | biostudies-other

2,4-Dinitro-1-phenoxy-benzene.

Project description:The title compound, C(12)H(8)N(2)O(5), was obtained by the reaction of 1-chloro-2,4-dinitro-benzene and phenol in the presence of potassium carbonate. The nitro-substituted benzene ring lies on a mirror plane, with one NO(2) group in the same plane and the other disordered across this plane. The phenoxy-benzene unit is placed perpendicular to this mirror, resulting in an exact orthogonal relationship between the phenyl and benzene rings in the mol-ecule. The crystal packing exhibits no significantly short inter-molecular contacts.

| S-EPMC2979788 | biostudies-literature

2-Meth-oxy-9-phenoxy-acridine.

Project description:The mol-ecules in the crystal structure of the title compound, C(20)H(15)NO(2), form inversion dimers connected through the C-H?N and ?-? inter-actions. These dimers are further linked by C-H?? inter-actions. The meth-oxy group is nearly coplanar with the acridine ring system [dihedral angle = 4.5?(1)°], whereas the phen-oxy fragment is nearly perpendicular to it [dihedral angle = 85.0?(1)°]. The mean planes of the acridine ring systems are either parallel or inclined at angles of 14.3?(1), 65.4?(1) and 67.3?(1)° in the crystal.

| S-EPMC2984048 | biostudies-literature

4-(4-Nitro-phenoxy)biphen-yl.

Project description:The two phenyl rings of the biphenyl unit of the title compound, C(18)H(13)NO(3), are almost coplanar [dihedral angle 6.70 (9)°]. The nitro-phenyl ring, on the other hand, is significantly twisted out of the plane of the these two rings, making dihedral angles of 68.83 (4)° with the middle ring and 62.86 (4)° with the end ring. The nitro group is twisted by 12.1 (2)° out of the plane of the phenyl ring to which it is attached.

| S-EPMC2968949 | biostudies-literature

4-Nitro-2-phenoxy-aniline.

Project description:In the title compound, C(12)H(10)N(2)O(3), the oxygen atom bridging the two aromatic rings is in a synperiplanar (+sp) conformation. The dihedral angle between the aromatic rings is 71.40?(12)°. In the crystal, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2979503 | biostudies-other

Newly synthesized peripherally octa-substituted zinc phthalocyanines carrying halogen terminated phenoxy-phenoxy moiety: comparative photochemical and photophysical features.

Project description:This study reports the 3 new phthalonitrile derivatives, namely 4, 5 Bis-[4-(4-bromophenoxy) phenoxy] phthalonitrile ( 1 ), 4,5 Bis-[4-(4-chlorophenoxy) phenoxy]phthalonitrile ( 2 ), and 4, 5 Bis[4-(4-fluorophenoxy) phenoxy] phthalonitrile ( 3 ). Their octa-substituted zinc phthalocyanines ( 4 , 5 , 6 ) are reported for the first time in this study. The resulting compounds were characterized by utilizing some spectroscopic methods, such as UV-Vis, 1HNMR, FT-IR spectroscopy, as well as mass spectraand elemental analysis. To show photosynthesizer's potential, emission (F F ), singlet oxygen (1O2), and photodegradation quantum yields (F∆, Fd) of octa-peripherally phthalocyanines (Pcs) were performed in the solutions, such as biocompatible solvent DMSO (dimethyl sulfoxide) as well as DMF (dimethylformamide) and THF (tetrahydrofuran). Solvent and octa-peripherally binding effect of the halogen (Br, Cl, F) terminated phenoxy-phenoxy groups on phthalocyanine rings for photophysicochemical properties ( 4 , 5 , and 6 ) were compared with the tetra-peripherally and tetra nonperipherally substituted derivatives. The new dyes ( 4 to 6 ) may be evaluated in photodynamic therapy (PDT) of cancer as photosensitizers due to efficient 1O2 from 0.55 to 0.75.

| S-EPMC7765766 | biostudies-literature

Design, synthesis and anticonvulsant-analgesic activity of new <i>N</i>-[(phenoxy)alkyl]- and <i>N</i>-[(phenoxy)ethoxyethyl]aminoalkanols.

Project description:New derivatives of N-[(phenoxy)alkyl]- and N-[(phenoxy)ethoxyethyl]aminoalkanols have been synthesized and evaluated for their anticonvulsant activity in maximal electroshock (MES), maximal electroshock seizure threshold (MEST), and pentylenetetrazol (PTZ) tests. Their neurotoxicity was evaluated via rotarod and chimney tests. The compounds exhibiting the most beneficial activity and protection indices were evaluated for analgesic activity using the formalin test for neurogenic pain. They were also evaluated for their influence on cytotoxic activity using in vitro cellular models (HepG2 and CRL-2534 cell lines). Experiments performed using MTT and neutral red cytotoxicity assays showed that all evaluated compounds were safe for normal, glial cells (astrocytes) and did not induce hepatotoxic effects. Based on the results from the in vitro studies, the safety of the evaluated compounds was inferred. The most promising compound in this research was 1-{2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl}piperidin-3-ol hydrochloride. Additionally, in silico metabolism prediction for the compound has been performed.

| S-EPMC6072507 | biostudies-literature

2,3-Bis(phenoxy-meth-yl)buta-1,3-diene.

Project description:The mol-ecule of the title compound, C(18)H(18)O(2), a symmetrically phenol-substituted divinyl analog, exhibits crystallographically imposed C(2) symmetry. The phenolic and divinyl planar groups inter-sect each other orthogonally, with a dihedral angle of 82.7?(1)°. The structure is stabilized by a short intra-molecular C-H?O contact. The mol-ecules are held together by C-H?? inter-actions, forming a sheet structure parallel to the (201) plane.

| S-EPMC2915194 | biostudies-literature

Tris(4-acetamido-phenoxy-methyl)methanol 0.7-hydrate.

Project description:The asymmetric unit of the title compound, C(28)H(31)N(3)O(7)·0.7H(2)O, contains a mol-ecule of tris-(4-acetamido-phenoxy-meth-yl)methanol and 0.7 of a water mol-ecule. An extensive hydrogen-bonding network includes inter-actions between all components of the crystal structure.

| S-EPMC2959728 | 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