Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(Pyrimidin-2-yl-oxy)phenol.

ABSTRACT: The pyrimidine and benzene rings in the title compound, C(10)H(8)N(2)O(2), form a dihedral angle of 71.03?(7)°, with the roughly orthogonal benzene ring being folded towards one of the pyrimidine N atoms. In the crystal, pairs of O-H?N hydrogen bonds connect mol-ecules related by twofold symmetry into dimeric aggregates. These associate into a supra-molecular chain propagating along the b axis by way of C-H?? contacts. The chains are cross-linked by ?-? inter-actions that occur between pyrimidine rings [ring centroid-centroid distances = 3.5393?(9) and 3.5697?(9)?Å].

SUBMITTER: Nasir SB

PROVIDER: S-EPMC3007867 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-(Pyrimidin-2-yl-oxy)phenol.

Nasir Shah Bakhtiar SB Abdullah Zanariah Z Fairuz Zainal A ZA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100804 Pt 9

The pyrimidine and benzene rings in the title compound, C(10)H(8)N(2)O(2), form a dihedral angle of 71.03 (7)°, with the roughly orthogonal benzene ring being folded towards one of the pyrimidine N atoms. In the crystal, pairs of O-H⋯N hydrogen bonds connect mol-ecules related by twofold symmetry into dimeric aggregates. These associate into a supra-molecular chain propagating along the b axis by way of C-H⋯π contacts. The chains are cross-linked by π-π inter-actions that occur between pyrimidin ...[more]

PMID: 21588583

Similar Datasets

2-[(Pyrimidin-2-yl-amino)-meth-yl]phenol.

Project description:In the title compound, C(11)H(11)N(3)O, the aromatic rings at either ends of the -CH(2)-NH- link are twisted by 72.58 (8)°; the hy-droxy substituent is a hydrogen-bond donor to an N atom of the pyrimidine ring. The other N atom of the pyrimidine ring is a hydrogen-bond acceptor to the amino group of an inversion-related mol-ecule.

| S-EPMC3238918 | biostudies-literature

N-Cyclo-hexyl-N-{[3-(4,6-dimeth-oxy-pyrimidin-2-yl-oxy)pyridin-2-yl]meth-yl}4,6-dimeth-oxy-pyrimidin-2-amine.

Project description:In the title compound, C(24)H(30)N(6)O(5), the cyclo-hexyl ring adopts a chair conformation, while the remainder of the mol-ecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04?(12) and 75.99?(9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56?(15)° between them. They are also involved in an intra-molecular ?-? stacking inter-action with a distance of 3.6627?(18)?Å between the ring centroids. In the crystal, C-H?O contacts link the mol-ecules into chains along the b axis.

| S-EPMC3344196 | biostudies-literature

2-[(4,6-Dimeth-oxy-pyrimidin-2-yl)-oxy]benzaldehyde.

Project description:In the title compound, C(13)H(12)N(2)O(4), the dihedral angle between the benzene and pyrimidine rings is 55.57?(13)°. The carbonyl group and the two methoxyl groups are approximately coplanar with the benzene ring and pyrimidine ring; the C-C-C-O, C-O-C-N and C-O-C-C torsion angles being -6.1?(5), -4.8?(4) and 179.9?(3)°, respectively. In the crystal, mol-ecules are linked via C-H?O inter-actions, forming chains propagating along [110].

| S-EPMC3275181 | biostudies-literature

2-[4-(Piperidin-1-yl)-5H-chromeno[2,3-d]pyrimidin-2-yl]phenol.

Project description:In the title compound, C22H21N3O2, the pyrimidine ring is essentially planar [maximum deviation = 0.018?(2)?Å] and forms dihedral angles of 22.70?(8) and 0.97?(7)°, respectively, with the fused benzene ring and the hy-droxy-substituted benzene ring. The piperidine ring has a chair conformation and the pyran ring has a flattened twist-boat conformation. The hy-droxy group was refined as disordered over two sets of sites in a 0.702?(4):0.298?(4) ratio. The disorder corresponds to a rotation of approxomiately 180° about the C-C bond connecting the phenol group to the pyrimidine ring and hence, both the major and minor components of disorder form intra-molecular O-H?N hydrogen bonds. In the crystal, pairs of weak C-H?? inter-actions form inversion dimers. In addition, ?-? inter-actions are observed between the pyrimidine ring and the hy-droxy-substituted benzene ring [centroid-centroid separation = 3.739?(2)?Å].

| S-EPMC3998607 | biostudies-literature

Tris{2-[(pyrimidin-2-yl-?N)amino-meth-yl]phenol}silver(I) nitrate.

Project description:The Ag(I) atom in the title compound, [Ag(C11H11N3O)3]NO3, shows a T-shaped coordination arising from bonding to the N atom of three N-heterocycles; the geometry is distorted towards square pyramidal owing to two weak Ag?Onitrate inter-actions [Ag?O = 2.691?(5) and 3.073?(5)?Å]. The cation and anion are linked by O-H?N and N-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3588784 | biostudies-literature

2-[3-Meth-oxy-5-(pyrimidin-2-yl)phen-yl]pyrimidine.

Project description:The title compound, C15H12N4O, was synthesized by a standard Suzuki cross-coupling reaction. The terminal pyrim-idine rings are rotated at dihedral angles of 12.06?(4) and -13.13?(4)° with respect to the central benzene ring. In the crystal, the mol-ecules are connected by two kinds of C-H?N hydrogen bonds, forming zigzag chains along the c axis. Weak ?-? inter-actions between the benzene and one of the pyrimidine rings are also found and stack the mol-ecules along the b axis [centroid-centroid distance = 4.112?(3)?Å].

| S-EPMC3588471 | biostudies-literature

2-[(4-Meth-oxy-benz-yl)imino-meth-yl]phenol.

Project description:In the title Schiff base compound, C(15)H(15)NO(2), prepared from 4-meth-oxy-benzyl-amine and salicyl-aldehyde, an intra-molecular O-H?N hydrogen bonds influences the mol-ecular conformation; the two aromatic rings form a dihedral angle of 73.5?(1)°. In the crystal, weak inter-molecular C-H?O inter-actions link the mol-ecules into chains propagating in [010].

| S-EPMC3011435 | biostudies-literature

3-Meth-oxy-2-[(E)-(4-meth-oxy-phen-yl)imino-meth-yl]phenol.

Project description:The title compound, C(15)H(15)NO(3), adopts the enol-imine tautomeric form. The two rings are twisted with respect to each other, making a dihedral angle of 44.08?(5)°. The 3-methoxy-2-[(E)-(4-methoxyphenyl)-iminomethyl]phenol unit is almost planar, the largest deviation from the mean plane being 0.047?(2)?Å. Such a planar conformation might be related to the occurrence of an intra-molecular O-H?N hydrogen bond. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules into sheets parallel to (010). These sheets are inter-connected by weak C-H?? inter-actions.

| S-EPMC3051687 | biostudies-literature

(E)-2-(5,5-Dimethyl-hexa-hydro-pyrimidin-2-yl)-4-(phenyl-diazen-yl)phenol.

Project description:In the title Schiff base, C(18)H(22)N(4)O, the hexa-hydro-pyrimidinyl ring adopts a chair conformation. The dihedral angle between the aromatic rings of the 4-(2-phenyl-diazen-yl)phenol unit is 15.7 (1)°. There is an intra-molecular O-H⋯N hydrogen bond between the hydroxyl group and an N atom of the hexa-hydro-pyimidinyl unit. Inter-molecular N-H⋯O and N-H⋯N hydrogen bonds give rise to a layer structure.

| S-EPMC2959919 | biostudies-literature

1,4-Bis(6-chloro-pyrimidin-4-yl-oxy)benzene.

Project description:In the title compound, C(14)H(8)Cl(2)N(4)O(2), all atoms of the 6-chloro-pyrimidin-4-yl-oxy group and the C atoms at the para positions of the central benzene ring lie on a crystallographic mirror plane. The complete benzene ring is generated by the mirror plane and hence the dihedral angles between the pyrimidine rings and the benzene ring are exactly 90°. The crystal structure is stabilized by weak C-H?O and C-H?N hydrogen bonds.

| S-EPMC2968353 | 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