Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Tan Z

PROVIDER: S-EPMC2977294 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Tan Zhengde Z Bing Yi Y Fang Shen S Kai Zhao Z Yan Yang Y

Acta crystallographica. Section E, Structure reports online 20090704 Pt 8

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. ...[more]

PMID: 21583468

Similar Datasets

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

5-(2,3-Dichloro-phen-yl)-2-fluoro-pyridine.

Project description:In the title compound, C(11)H(6)Cl(2)FN, the dichloro-benzene and the 2-fluoro-pyridine rings are oriented at a dihedral angle of 47.73 (3)°. In the crystal, pairs of C-H⋯N inter-actions link the mol-ecules into dimers with R(2) (2)(12) motifs. Mol-ecules are arranged in stacks extending along [100] via π-π inter-actions with a centroid-centroid distance of 3.8889 (3) Å.

| S-EPMC3393983 | biostudies-literature

5,6-Dichloro-2-(2-fluoro-phen-yl)iso-indoline-1,3-dione.

Project description:The crystal structure of the title compound, C(14)H(6)Cl(2)FNO(2), exhibits C-H⋯π and π-π inter-actions, which generate C(3) chains in the [100] direction. The π-π inter-action occurs between the aromatic rings of isoindoline units, with a centroid-centroid distance of 3.672 Å and an inter-planar separation of 3.528 Å. The isoindoline unit is planar and inclined at an angle of 58.63 (18)° to the substituent benzene ring. The F atom is disordered over two positions, with refined occupancies of 0.669 (3) and 0.331 (3).

| S-EPMC2961116 | biostudies-literature

(E)-3-(4-Chloro-phen-yl)-1-(2,4-dichloro-5-fluoro-phen-yl)prop-2-en-1-one.

Project description:In the title chalcone derivative, C(15)H(8)Cl(3)FO, the dihedral angle between the two benzene rings is 43.35 (8)°. Weak C-H⋯O and C-H⋯Cl intra-molecular inter-actions involving the enone group generate S(5) and S(6) ring motifs, respectively. In the crystal structure, mol-ecules are linked into anti-parallel chains along the a axis. These chains are stacked along the b axis and short Cl⋯F contacts of 3.100 (1) Å link adjacent mol-ecules of the anti-parallel chains into dimers.

| S-EPMC2961420 | biostudies-literature

3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-phenyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine.

Project description:In the title compound, C(25)H(13)Cl(2)F(4)N(3), there are four planar systems, viz. three benzene rings and a pyrazolo-[1,5-a]pyrim-idine system [r.m.s. deviation = 0.002?Å]. The dihedral angle between the dichloro-phenyl ring and the unsubstituted phenyl ring is 69.95?(5)°, while that between the fluoro-phenyl ring and the unsubstituted phenyl ring is 7.97?(10)°. The crystal packing is dominated by van der Waals inter-actions. A Cl?Cl inter-action of 3.475?(3)?Å also occurs.

| S-EPMC3379478 | biostudies-literature

3-(2,4-Dichloro-phen-yl)-5-(4-fluoro-phen-yl)-2-methyl-7-(trifluoro-meth-yl)pyrazolo-[1,5-a]pyrimidine.

Project description:In the title compound, C(20)H(11)Cl(2)F(4)N(3), the central pyrazolo-[1,5-a]pyrimidine unit is almost planar [the mean deviation from the best least-square plane through the nine atoms is 0.006?(2)?Å]. The fluoro-benzene ring is rotated out of this plane by 10.3?(3)°, whereas the dichloro-benzene ring is rotated by 46.2?(3)°. The crystal packing is dominated by Cl?Cl inter-actions of 3.475?(3)?Å and van der Waals inter-actions.

| S-EPMC3344620 | biostudies-literature

(2E)-1-(2,6-Dichloro-3-fluoro-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(16)H(11)Cl(2)FO(2). The F atom equally populates both meta positions of the 6-dichloro-3-fluoro-phenyl ring in each mol-ecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5?(2) and 89.8?(8)°in the two mol-ecules. In the crystal, weak C-H?F and C-H?O inter-actions involving the half-occupied H and F atoms are observed. Weak ?-? stacking inter-actions [centroid-centroid distance = 3.150?(2)?Å] also contribute to the crystal stability.

| S-EPMC3344105 | biostudies-literature

(2E)-3-[4-(Benz-yloxy)phen-yl]-1-(2,6-dichloro-3-fluoro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C22H15Cl2FO2, a chalcone derivative featuring a threefold-halogenated aromatic substituent, the conformation about the C=C bond is E. In the crystal C-H⋯F and C-H⋯Cl contacts connect the mol-ecules into undulating sheets parallel to (101). In addition, C-H⋯π inter-actions are also present.

| S-EPMC3588981 | biostudies-literature

4-[(1E)-3-(2,6-Dichloro-3-fluoro-phen-yl)-3-oxoprop-1-en-1-yl]benzonitrile.

Project description:In the title mol-ecule, C(16)H(8)Cl(2)FNO, the benzene rings form a dihedral angle of 78.69 (8)°. The F atom is disordered over two positions in a 0.530 (3):0.470 (3) ratio. The crystal packing exhibits π-π inter-actions between dichloro-substituted rings [centroid-centroid distance = 3.6671 (10) Å] and weak inter-molecular C-H⋯F contacts.

| S-EPMC3344538 | biostudies-literature

N-[3,5-Dichloro-4-(1,1,2,2-tetra-fluoro-eth-oxy)phen-yl]-2,6-difluoro-benzamide.

Project description:In the title compound, C(15)H(7)Cl(2)F(6)NO(2), the conformation of the N-H bond in the amide segment is anti to the C=O bond and the dihedral angle between the two benzene rings is 78.6?(3)°. The terminal -CHF(2) group is disordered over two orientations in a 0.67:0.33 ratio. In the crystal, the mol-ecules are linked by N-H?O hydrogen bonds, generating C(4) chains propagating in [100].

| S-EPMC3007377 | 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