Browse
Submit Data
Databases
API
Help

Dataset Information

4 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Amino-2-phenoxy-pyrimidine.

ABSTRACT: 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).

SUBMITTER: Shah Bakhtiar N

PROVIDER: S-EPMC2977475 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Amino-2-phenoxy-pyrimidine.

Shah Bakhtiar Nasir N Abdullah Zanariah Z Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090715 Pt 8

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). ...[more]

PMID: 21583556

Similar Datasets

2-Phenoxy-pyrimidine.

Project description: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)°.

| S-EPMC2968036 | biostudies-literature

(2-Amino-4,6-dimethyl-pyrimidine-?N)(2-amino-4-methyl-pyrimidine-?N)silver(I) nitrate.

Project description:Colourless crystals of the title compound, [Ag(C(5)H(7)N(3))(C(6)H(9)N(3))]NO(3), separated out of a solution of 2-amino-4-methyl-pyrimidine, 2-amino-4,6-dimethyl-pyrimidine and silver nitrate in water and methanol. The central Ag(I) ion is coordinated by two different N atoms in the aromatic rings of the ligands, with an N-Ag-N angle of 173.9?(2)°. The crystal structure is composed of two complexed cations and stabilized by an inter-molecular N-H?O and N-H?N hydrogen-bond network and there is ?-? stacking of the aromatic rings [inter-planar distance 3.651?(10)?Å].

| S-EPMC2970381 | biostudies-literature

(2-Amino-4,6-dimethyl-pyrimidine-?N)(2-amino-4-methyl-pyrimidine-?N)silver(I) perchlorate.

Project description:Colourless crystals of the title mixed ligand complex, [Ag(C(5)H(7)N(3))(C(6)H(9)N(3))]ClO(4), were obtained from a solution of 2-amino-4-methyl-pyrimidine, 2-amino-4,6-dimethyl-pyrim-idine and silver perchlorate in water and methanol. The crystal structure is stabilized by inter-molecular N-H?O and N-H?N hydrogen bonds and ?-? stacking inter-actions of the aromatic rings of the two ligands [inter-planar distance = 3.652?(10)?Å]. The Ag(I) atom shows a linear coordination [N-Ag-N = 174.6?(1)°].

| S-EPMC2970461 | biostudies-literature

Bis(2-amino-pyrimidine-?N)dibromidozinc(II).

Project description:The title compound, [ZnBr(2)(C(4)H(5)N(3))(2)], is a mononuclear complex in which the Zn(II) ions have distorted tetra-hedral coordination geometry. The Zn(II) ion binds to two N atoms from two different 2-amino-pyrimidine ligands and two bromide ions. N-H?N hydrogen bonds link the mol-ecules to form a one-dimensional supra-molecular structure. The supra-molecular chains are parallel to each other and N-H?Br hydrogen bonds link them into a two-dimensional network in the ac plane. Additionally, there are strong ?-? inter-actions [centroid-centroid distance = 3.403?(3)?Å].

| S-EPMC2961077 | biostudies-literature

2-[N-(4-{4-[(E)-(2-Hydroxybenzyl-idene)amino]phenoxy}phenyl)carbox-imidoyl]phenol.

Project description:The mol-ecular structure of the title Schiff base compound, C(26)H(20)N(2)O(3), shows that respective methyl-idene residues are almost coplanar with the adjacent terminal benzene ring owing to the presence of intra-molecular O-H?N hydrogen bonds [the N-C-C-C torsion angles are -6.6?(7) and -6.7?(7)°]. However, twists are exhibited about each methyl-idene and respective benzene ring connected to the central O atom; the dihedral angles formed between the two inner and two outer benzene rings are 54.6?(2) and 45.6?(3)°, respectively. The conformation about each of the C=N bonds [1.285?(5) and 1.295?(5)?Å] is E. In the crystal, extensive C-H?? contacts involving all benzene rings results in the formation of layers in the ac plane.

| S-EPMC3100046 | biostudies-literature

2-Amino-4,6-dimethyl-pyrimidine-anthranilic acid (1/1).

Project description:In the title 1:1 adduct, C(6)H(9)N(3)·C(7)H(7)NO(2), the crystal structure is stabilized by hydrogen bonds involving two different R(2) (2)(8) motifs. One of them is formed by the inter-action of 2-amino-4,6-dimethyl-pyrimidine (AMPY) with the carboxyl group of anthranilic acid (AA) through N-H?O and O-H?N hydrogen bonds, whereas the other is formed through the inter-action of two centrosymmetrically related pyrimidines involving N-H?N hydrogen bonds. These two combined motifs form a heterotetra-mer. The heterotetra-mer sheets are stacked into three-dimensional network.

| S-EPMC2983637 | biostudies-literature

6-[(Dimethyl-amino)methyl-ene-amino]-1,3-dimethyl-pyrimidine-2,4(1H,3H)-dione dihydrate.

Project description:Uracil, the pyrimidine nucleobase, which combined with adenine forms one of the major motifs present in the biopolymer RNA, is also involved in the self-assembly of RNA. In the title compound, C(9)H(14)N(4)O(2)·2H(2)O, the asymmetric unit contains one dimethyl-amino-uracil group and two water mol-ecules. The plane of the N=C-NMe(2) side chain is inclined at 27.6?(5)° to the plane of the uracil ring. Both water mol-ecules form O-H?O hydrogen bonds with the carbonyl O atoms of the uracil group. Additional water-water hydrogen-bond inter-actions are also observed in the crystal structure. The O-H?O hydrogen bonds lead to the formation of a two-dimensional hydrogen-bonded network cage consisting of two dimethyl-amino-uracil groups and six water mol-ecules.

| S-EPMC2960636 | biostudies-literature

2-Amino-4,6-di-methyl-pyrimidine-sorbic acid (1/1).

Project description:In the crystal of the title compound, C6H9N3·C6H8O2, the 2-amino-4,6-di-methyl-pyrimidine and sorbic acid mol-ecules are linked through N-H?O and O-H?N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R 2 (2)(8) graph-set motif. Further, two inversion-related pyrimidine mol-ecules are base-paired via a pair of N-H?N hydrogen bonds, forming a cyclic bimolecular homosynthon with a graph-set of R 2 (2)(8). A discrete hetero tetra-meric supra-molecular unit along the b axis is formed by the fusion of two heterosynthons and one homosynthon. An aromatic ?-? inter-action [centroid-centroid distance = 3.7945?(16)?Å] is observed between these tetra-meric units.

| S-EPMC3793739 | 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

(E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-yl-methyl-idene)amino]-pyrimidine-2,4(1H,3H)-dione.

Project description:In the title compound, C(12)H(13)N(5)O(2), a Schiff-base-derived chelate ligand, the non-aromatic heterocycle and its substituents essentially occupy one common plane (r.m.s. of fitted non-H atoms = 0.0503?Å). The N=C bond is E-configured. Intra-cyclic angles in the pyridine moiety cover the range 117.6?(2)-124.1?(2)°. Intra- and inter-molecular N-H?N and N-H?O hydrogen bonds are observed in the crystal structure, as are intra- and inter-molecular C-H?O contacts which, in total, connect the mol-ecules into a three-dimensional network. The shortest ring-centroid-to-ring-centroid distance of 3.5831?(14)?Å is between the two different types of six-membered rings.

| S-EPMC3200715 | 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