Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Zhang SS

PROVIDER: S-EPMC2961186 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Zhang Shan-Shan SS Zhuang Yue Y Yin Xian-Hong XH Zhao Kai K Lin Cui-Wu CW

Acta crystallographica. Section E, Structure reports online 20080418 Pt 5

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. ...[more]

PMID: 21202357

Similar Datasets

3,6-Dichloro-N-(4-fluoro-phen-yl)picolinamide.

Project description:In the title compound, C(12)H(7)Cl(2)FN(2)O, the dihedral angle between the phenyl and pyridine rings is 42.5?(2)?Å and an intramolecular N-H?N hydrogen bond occurs. The crystal structure is stabilized by C-H?O, C-H?F and C-Cl short contacts.

| S-EPMC2977294 | biostudies-literature

Bis[2-((4,6-dimethyl-pyrimidin-2-yl){2-[(4,6-dimethyl-pyrimidin-2-yl)sulfan-yl]eth-yl}amino)-eth-yl] disulfide.

Project description:Bis[2-(4,6-dimethyl-pyrimidin-2-ylsulfan-yl)eth-yl]amine under hydro-thermal conditions has unexpectedly been transformed into the title compound, C(32)H(44)N(10)S(4). In the title mol-ecule, the zigzag 3,10-diaza-6,7-disulfanyldodecyl skeleton has two dimethyl-pyrimidinylsulfanyl groups at both ends, and the aza atoms each carry a dimethyl-pyrimidinyl unit. The N atoms in the skeleton show a planar coordination.

| S-EPMC2983405 | biostudies-literature

2-Amino-4,6-dimeth-oxy-pyrimidin-1-ium 2,2-dichloro-acetate.

Project description:In the title salt, C(6)H(10)N(3)O(2) (+)·C(2)HCl(2)O(2) (-), two cations and two anions are linked by N-H?O hydrogen bonds, forming chains along the c axis.

| S-EPMC3379456 | biostudies-literature

Methyl 2-{N-[2-(2,4-dichloro-phen-oxy)acet-yl]-4-[(4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]anilino}propano-ate.

Project description:In the title mol-ecule, C(24)H(23)Cl(2)N(3)O(7), the central benzene ring forms dihedral angles of 65.71 (1) and 44.42 (1)° with the pyrimidine ring and the terminal benzene ring, respectively. In the crystal, molecules are linked via C-H⋯O hydrogen bonds.

| S-EPMC3393314 | 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

1-(4,6-Dimethyl-pyrimidin-2-yl)thio-urea.

Project description:In the crystal structure of the title compound, C(7)H(10)N(4)S, weak inter-molecular N-H⋯S inter-actions form a two-dimensional network parallel to the ab plane. An intra-molecular N-H⋯N hydrogen bond occurs.

| S-EPMC3238992 | 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-[(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

(3,6-Dichloro-pyridin-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone.

Project description:In the crystal structure of the title compound, C(11)H(9)Cl(2)N(3)O, mol-ecules are held together by short inter-molecular Cl⋯Cl contacts [3.319 (1) Å] and C-H⋯N hydrogen bonds, forming two-dimensional networks parallel to (01).

| S-EPMC2961666 | biostudies-literature

Bromido{dicyclo-hexyl[2'-(dimethyl-amino)biphenyl-2-yl]phosphine-κP}[2-(4,6-dimethyl-pyrimidin-2-yl)ferrocenyl-κC,N]palladium(II) dichloro-methane solvate.

Project description:In the title compound, [FePdBr(C(5)H(5))(C(11)H(10)N(2))(C(26)H(36)NP)]·CH(2)Cl(2), the Pd atom displays a distorted square-planar coordination environment. The five-membered metallacycle adopts an envelope conformation with the coordinated cyclo-penta-dienyl C atom 0.4222 (4) Å out of plane. The dihedral angle between the pyrimidinyl ring and substituted cyclo-penta-dienyl ring is 21.47 (2)°. In the crystal structure, the dimeric unit is generated through the C-H⋯π contact via a crystallographic inversion centre, while the C-H⋯Cl contacts in the dimeric centre link the dichlormethane mol-ecules with the Pd complex mol-ecules.

| S-EPMC2977585 | 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