Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(p-Tol-yloxy)pyrimidine.

ABSTRACT: In the title compound, C(11)H(10)N(2)O, the aromatic rings make a dihedral angle of 76.3?(1)°. The C-O-C angle at the ether atom is widened to 117.79?(9)°.

SUBMITTER: Shah Bakhtiar N

PROVIDER: S-EPMC2977406 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(p-Tol-yloxy)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(11)H(10)N(2)O, the aromatic rings make a dihedral angle of 76.3 (1)°. The C-O-C angle at the ether atom is widened to 117.79 (9)°. ...[more]

PMID: 21583557

Similar Datasets

2-(o-Tol-yloxy)pyrimidine.

Project description:The title compound, C(11)H(10)N(2)O, crystallizes with two mol-ecules in the asymmetric unit. The angle at the ether O atom is widened to 118.13?(15)° [117.89?(16)° for the second mol-ecule in the asymmetric unit]; the six-membered rings subtend a dihedral angle of 84.3?(1)° [87.4?(1)° in the second mol-ecule].

| S-EPMC2977185 | biostudies-literature

3-(m-Tol-yloxy)phthalonitrile.

Project description:In the mol-ecule of the title compound, C(15)H(10)N(2)O, the dihedral angle between the two benzene rings is 65.49 (9)°.

| S-EPMC2960461 | biostudies-literature

2-(m-Tol-yloxy)benzoic acid.

Project description:In the crystal structure of the title compound, C(14)H(12)O(3), the mol-ecules form classical O-H?O hydrogen-bonded carb-oxy-lic acid dimers. The dihedral angle between the two rings is 80.9?(3)°.

| S-EPMC3212322 | biostudies-literature

2-(o-Tol-yloxy)benzoic acid.

Project description:In the crystal structure of the title compound, C(14)H(12)O(3), mol-ecules are linked via inter-molecular O-H?O hydrogen bonds, resulting in dimer formation. The dihedral angle between the two phenyl rings is 76.2?(2)°.

| S-EPMC3120472 | biostudies-literature

1,6-Bis(p-tol-yloxy)hexa-ne.

Project description:The title compound, C20H26O2, crystallized with one half-mol-ecule in the asymmetric unit. The whole mol-ecule is generated by inversion symmetry, with the center of inversion being situated at the mid-point of the central -CH2-CH2- bond of the bridging hexane chain. In the crystal, mol-ecules stack in columns along the b axis. C-H?? inter-actions are present within the columns.

| S-EPMC4011250 | biostudies-literature

2-(2-Naphth-yloxy)pyrimidine.

Project description:In the title compound, C(14)H(10)N(2)O, the organic rings are inclined at an angle of 86.1?(1)°. The angle at the ether O atom is widened to 117.18?(14)°.

| S-EPMC2977450 | biostudies-literature

(Z)-3-o-Tolyl-3-(p-tol-yloxy)acrylonitrile.

Project description:The title compound, C(17)H(15)NO, exists in a Z conformation. The dihedral angle between the O-bonded benzene ring and the vinyl plane is 80.97 (18)° while the dihedral angle between the rings is 80.06 (10)°. In the crystal structure, no classical hydrogen bonds occur.

| S-EPMC3393901 | biostudies-literature

2-Methyl-5-(4-tol-yl)-7-(trifluoro-meth-yl)pyrazolo[1,5-a]pyrimidine.

Project description:In the title compound, C(15)H(12)F(3)N(3), the pyrazolo[1,5-a]pyrimidine system ring is essentially planar with a maximum deviation from the mean plane of 0.014 (1) Å. The 4-tolyl group makes a dihedral angle of 14.1 (1)° with the pyrazolo[1,5-a]pyrimidine ring system. The crystal packing is stabilized mainly by van der Waals forces.

| S-EPMC2915273 | biostudies-literature

3-Isopropyl-2-p-tol-yloxy-5,6,7,8-tetra-hydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one.

Project description:In the title compound, C(20)H(22)N(2)O(2)S, the central thieno-pyrimidine ring system is essentially planar, with a maximum displacement of 0.023 (2) Å. The attached cyclo-hexene ring is disordered over two possible conformations, with an occupancy ratio of 0.776 (12):0.224 (12). Neither inter-molecular hydrogen-bonding inter-actions nor π-π stacking inter-actions are present in the crystal structure. The mol-ecular conformation and crystal packing are stabilized by three intra-molecular C-H⋯O hydrogen bonds and two C-H⋯π inter-actions.

| S-EPMC2977812 | biostudies-literature

4-(But-3-yn-yloxy)-6-(4-iodo-1H-pyrazol-1-yl)pyrimidine.

Project description:In the title compound, C(11)H(9)IN(4)O, the dihedral angle between the pyrazole and pyrimidine rings is 6.30?(16)°. In the crystal, weak C-H?O inter-actions link the mol-ecules.

| S-EPMC2971380 | 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