Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,6-Dichloro-5-methoxy-pyrimidine.

ABSTRACT: The mol-ecule of the title compound, C(5)H(4)Cl(2)N(2)O, is close to being planar (r.m.s. deviation = 0.013?Å), apart from the C atom of the meth-oxy group, which deviates by 1.082?(2)?Å from the mean plane of the other atoms. In the crystal, short Cl?N contacts [3.0940?(15) and 3.1006?(17)?Å] generate a three-dimensional framework.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2979864 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4,6-Dichloro-5-methoxy-pyrimidine.

Fun Hoong-Kun HK Yeap Chin Sing CS Chidan Kumar C S CS Yathirajan H S HS Siddegowda M S MS

Acta crystallographica. Section E, Structure reports online 20100120 Pt 2

The mol-ecule of the title compound, C(5)H(4)Cl(2)N(2)O, is close to being planar (r.m.s. deviation = 0.013 Å), apart from the C atom of the meth-oxy group, which deviates by 1.082 (2) Å from the mean plane of the other atoms. In the crystal, short Cl⋯N contacts [3.0940 (15) and 3.1006 (17) Å] generate a three-dimensional framework. ...[more]

PMID: 21579827

Similar Datasets

A second monoclinic polymorph of 2-amino-4,6-dichloro-pyrimidine.

Project description:The title chloro-substituted 2-amino-pyrimidine, C(4)H(3)Cl(2)N(3), is a second monoclinic polymorph of this compound which crystallizes in the space group C2/c. The structure was previously reported [Clews & Cochran (1948 ▶). Acta Cryst. 1, 4-11] in the space group P21/a. There are two crystallographically independent mol-ecules in the asymmetric unit and each mol-ecule is planar. The dihedral angle between the two pyrimidine rings is 30.71 (12)°. In the crystal structure, mol-ecules are linked via N-H⋯N inter-molecular hydrogen bonds, forming infinite one-dimensional chains along the a axis. These hydrogen bonds generate R(2) (2)(8) ring motifs. The chains are stacked along the b axis.

| S-EPMC2960503 | biostudies-literature

2,4-Dichloro-pyrimidine.

Project description:The mol-ecule of the title compound, C(4)H(2)Cl(2)N(2), is almost planar [maximum deviation = 0.013 (3) Å for a Cl atom]. In the crystal structure, inter-molecular C-H⋯N inter-actions link the mol-ecules into chains.

| S-EPMC2969750 | biostudies-literature

3,6-Dichloro-N-(4,6-dichloro-pyrimidin-2-yl)picolinamide.

Project description:In the title compound, C(10)H(4)Cl(4)N(4)O, the pyridine and pyrimidine rings are nearly perpendicular to each other, the dihedral angle between them being 86.60 (10)°. In the crystal structure, the N and O atoms in the amide group are involved in inter-molecular hydrogen bonds, forming a one-dimensional chain along the c axis.

| S-EPMC2961186 | biostudies-literature

2-Iodo-4,6-dimethyl-pyrimidine.

Project description:In the title compound, C(6)H(7)IN(2), the non-H atoms of the mol-ecule are located on a crystallographic mirror plane; the H atoms of the methyl groups are therefore disordered over two positions of equal occupancy. In the crystal structure, short inter-molecular I?N contacts [3.390?(3)?Å] are found, linking the mol-ecules into zigzag chains. In addition, there are inter-molecular ?-? stacking inter-actions between the pyrimidine rings of adjacent mol-ecules [centroid-centroid distance = 3.5168?(10)?Å], resulting in a two-dimensional supra-molecular architecture.

| S-EPMC2983557 | biostudies-literature

2,4-Dichloro-6-methoxy-quinoline.

Project description:The title compound, C(10)H(7)Cl(2)NO, features a planar mol-ecule, excluding the methyl H atoms [maximum deviation = 0.0385?(1)?Å]. The crystal packing is stabilized by ?-? stacking inter-actions across inversion centres [centroid-to-centroid distance = 3.736?(3)?Å].

| S-EPMC2968243 | biostudies-literature

4,6-Dimethyl-2-p-tolyl-pyrimidine.

Project description:The mol-ecule of the title compound, C(13)H(14)N(2), is located on a crystallographic mirror plane. The aromatic rings make a dihedral angle of 3.4?(2)°. The H atoms of the methyl groups on the benzene ring are disordered over two positions; their site-occupation factors were fixed at 0.5. In the crystal, inter-molecular C-H?? contacts form infinite chains perpendicular to the b axis.

| S-EPMC2971259 | biostudies-literature

2-(1H-Benzimidazol-2-yl)-4,6-dichloro-phenol.

Project description:The title compound, C(13)H(8)Cl(2)N(2)O, was prepared by the reaction of 3,5-dichloro-2-hy-droxy-benzaldehyde with 1,2-diamino-benzene in methanol at ambient temperature. The title mol-ecule is essentially planar, the mean deviation from the plane of the non-H atoms being 0.037?(2)?Å. There is an intra-molecular O-H?N hydrogen bond in the mol-ecule. In the crystal, symmetry-related mol-ecules are linked through N-H?O hydrogen bonds, forming polymeric chains propagating in [001]. The chains are linked by ?-? inter-actions involving the dichloro-phenol ring and the benzoimidazole ring system [centroid-centroid distances = 3.535?(2) and 3.724?(2)?Å].

| S-EPMC3007443 | biostudies-literature

2-(1H-Imidazol-1-yl)-4,6-dimethyl-pyrimidine.

Project description:The asymmetric unit of the title compound, C(9)H(10)N(4), consists of two mol-ecules in which the dihedral angles between the planes of the imidazole and pyrimidine rings are 4.8?(1) and 2.1?(1)°.

| S-EPMC3247496 | biostudies-literature

2-Methyl-4,6-bis-(1-methyl-hydrazino)pyrimidine.

Project description:In the title compound, C(7)H(14)N(6), the amine groups of the two methyl-hydrazino substituents are orientated in the opposite direction to the methyl substituent at the 2-position of the pyrimidine ring. The mol-ecule is almost planar with only the two amine N atoms lying substanti-ally out of the mean plane of the pyrimidine ring [by 0.1430?(2) and 0.3092?(2)?Å]. The H atoms on these amine groups point inwards towards the aromatic ring, such that the lone pair of electrons points outwards from the mol-ecule. Each mol-ecule is linked to two others through N-H?N hydrogen bonds between the two amino groups, forming a one-dimensional chain in the [010] direction. Offset face-to-face ?-? stacking inter-actions between the pyrimidine rings organize these chains into a two-dimensional array [centroid-centroid distance = 3.789?(2)?Å].

| S-EPMC2969452 | biostudies-literature

4,6-Dimeth-oxy-2-(methyl-sulfon-yl)pyrimidine.

Project description:The asymmetric unit of the title compound, C(7)H(10)N(2)O(4)S, comprises of two independent mol-ecules (A and B) which differ in the orientation of the methyl-sulfonyl group [C-S-C-N = 157.98?(13)° in mol-ecule A and 6.09?(18)° in mol-ecule B]. In the crystal structure, mol-ecules of type A are linked into chains along the a axis by inter-molecular C-H?O hydrogen bonds. The B mol-ecules are linked to these chains by C-H?O hydrogen bonds.

| S-EPMC3007508 | 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