Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-1-(4-Methyl-phen-yl)ethanone [8-(trifluoro-meth-yl)quinolin-4-yl]hydrazone.

ABSTRACT: In the title compound, C(19)H(16)F(3)N(3), the dihedral angle between the naphthalene and quinoline ring systems is 14.58?(8)°. The hydrazone C-N-N=C-C chain is in an extended conformation and its mean plane is nearly coplanar with the quinoline plane [dihedral angle = 3.45?(9)°]. The bond angles within the phenyl ring show the almost additive influence of the two para substituents. In the crystal, weak ?-? [centroid-centroid distances = 3.779?(2) and 3.718?(1)?Å] and C-H?F directional inter-actions join the mol-ecules into centrosymmetric dimers, which are further connected into infinite zigzag chains propagating along a.

SUBMITTER: Dutkiewicz G

PROVIDER: S-EPMC2984078 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-1-(4-Methyl-phen-yl)ethanone [8-(trifluoro-meth-yl)quinolin-4-yl]hydrazone.

Dutkiewicz Grzegorz G Mayekar Anil N AN Yathirajan H S HS Narayana B B Kubicki Maciej M

Acta crystallographica. Section E, Structure reports online 20100320 Pt 4

In the title compound, C(19)H(16)F(3)N(3), the dihedral angle between the naphthalene and quinoline ring systems is 14.58 (8)°. The hydrazone C-N-N=C-C chain is in an extended conformation and its mean plane is nearly coplanar with the quinoline plane [dihedral angle = 3.45 (9)°]. The bond angles within the phenyl ring show the almost additive influence of the two para substituents. In the crystal, weak π-π [centroid-centroid distances = 3.779 (2) and 3.718 (1) Å] and C-H⋯F directional inter-act ...[more]

PMID: 21580694

Similar Datasets

(E)-1-(3-Nitro-phen-yl)ethanone (2-methyl-phen-yl)hydrazone.

Project description:In the title Schiff base compound, C(15)H(15)N(3)O(2), the azomethine double bond adopts an E configuration. The dihedral angle between the two aromatic rings is 13.4?(12)°. In the crystal, mol-ecules are arranged in wave-like layers parallel to (100) without any classical hydrogen bonding.

| S-EPMC3201279 | biostudies-literature

1-{5-[2-Chloro-5-(trifluoro-meth-yl)phen-yl]thio-phen-2-yl}ethanone.

Project description:In the title molecule, C(13)H(8)ClF(3)OS, the dihedral angle between the mean planes of 2-chloro-5-(trifluoro-meth-yl)phenyl and tiophene rings is 54.37?(5)°. The acethyl group is twisted by 8.1?(2)° with respect to the thio-phene ring. The CF(3) group is disordered over two sets of sites with occupations of 0.49?(3) and 0.51?(3). The crystal packing features C-H?F and C-H?O hydrogen bonds, forming dimers which are connected into chains along the c axis by C-H?O hydrogen bonds and C-Cl?? [Cl?? = 3.415?(1)?Å and C-Cl?? = 151.56?(5)°] inter-actions. The chains are further connected into layers perpendicular to the a axis by C-H?O inter-actions.

| S-EPMC3052071 | biostudies-literature

Nicotinaldehyde [2,8-bis-(trifluoro-meth-yl)quinolin-4-yl]hydrazone monohydrate.

Project description:In the title compound, C(17)H(10)F(6)N(4)·H(2)O, the pyridine ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes is 21.3?(1)°. One of the trifluoro-methyl group is disordered over two orientations with occupancies of 0.70?(1) and 0.30?(1). The water mol-ecule is disordered over two positions with occupancies of 0.76?(1) and 0.24?(1). In the crystal, the water mol-ecule is linked to the main mol-ecule via N-H?O and C-H?O hydrogen bonds, and inversion-related pairs are linked via O-H?N hydrogen bonds. In addition, a weak ?-? inter-action is observed between the pyridine ring and the pyridine ring of the quinoline unit, with a centroid-centroid distance of 3.650?(2)?Å.

| S-EPMC3007871 | biostudies-other

Methyl 2-{[2,8-bis-(trifluoro-meth-yl)quinolin-4-yl]-oxy}acetate.

Project description:In the crystal structure of the title compound, C(14)H(9)F(6)NO(3), mol-ecules are connected by inter-molecular C-H?O hydrogen bonds. The best planes through the benzene and pyridyl rings make a dihedral angle of 1.59?(12)°.

| S-EPMC3051653 | biostudies-literature

(E)-1-(2,5-Dichloro-thio-phen-3-yl)ethan-one [8-(trifluoro-meth-yl)quinolin-4-yl]hydrazone.

Project description:In the title compound, C(16)H(10)Cl(2)F(3)N(3)S, the dihedral angle between the quinoline and thio-phene ring systems is 4.94?(10)°. The NH group of the hydrazone moiety does not form a hydrogen bond, due to a steric crowding. In the crystal, the thio-phene ring takes part in weak ?-? stacking inter-actions with the pyridine ring [centroid-to-centroid separation = 3.7553?(19)?Å and inter-planar angle = 5.48?(12)°] and the benzene ring [3.7927?(19)?Å and 4.58?(12)°]. Together, these lead to [100] stacks of mol-ecules in an alternating head-to-tail arrangement, with two ?-? stacking contacts between each adjacent pair.

| S-EPMC3297859 | biostudies-other

3,4-Dimeth-oxy-benzaldehyde [2,8-bis-(trifluoro-meth-yl)quinolin-4-yl]hydrazone.

Project description:In the title compound, C(20)H(15)F(6)N(3)O(2), the quinoline ring system is almost coplanar with the benzene ring; the dihedral angle between the two planes is 2.31?(8)°. The crystal structure displays an inter-molecular C-H?F hydrogen bond. In addition, a weak ?-? inter-action is observed between the unfused benzene ring and the benzene ring of quinoline, with a centroid-centroid distance of 3.586?(1)?Å.

| S-EPMC3006850 | biostudies-other

1-{6-Chloro-2-[(2-chloro-6-methyl-quinolin-3-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone.

Project description:In the title compound, C(28)H(20)Cl(2)N(2)O(2), the 2-chloro-quinoline and 6-chloro-quinoline ring systems are twisted slightly, making a dihedral angle of 4.05?(3)°. The dihedral angle between the 2-quinoline ring system and the phenyl ring attached to it is 74.43?(5)°. In the crystal structure, a pair of inter-molecular C-H?O hydrogen bonds connect the mol-ecules, forming centrosymmetric dimers with R(2) (2)(16) motifs. The dimers are further consolidated by a C-H?? inter-action and a ?-? stacking inter-action with a centroid-centroid distance of 3.6562?(10)?Å.

| S-EPMC3006731 | biostudies-literature

Methyl 3-(4-{6-methyl-4-[3-(trifluoro-meth-yl)phen-yl]pyridazin-3-yl-oxy}phen-yl)propanoate.

Project description:In the title compound, C(22)H(19)F(3)N(2)O(3), the benzene rings of the trifluoro-methyl-phenyl and benzoyl-phenyl groups form dihedral angles of 41.89?(10) and 67.44?(10)°, respectively, with the pyridazine ring. The methyl-propanoate group is nearly coplanar with the attached benzene ring [dihedral angle = 3.9?(2)°]. The trifluoro-methyl group is disordered over two positions; the site-occupancy factors are ca 0.64 and 0.36. In the crystal structure, inversion-related mol-ecules are linked through C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC2961364 | biostudies-literature

5-Methyl-N-[2-(trifluoro-meth-yl)phen-yl]isoxazole-4-carboxamide.

Project description:In the title compound, C(12)H(9)F(3)N(2)O(2), the benzene ring is nearly perpendicular to the isoxazole ring, making a dihedral angle of 82.97?(2)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into a supra-molecular chain running along the c axis.

| S-EPMC3344567 | biostudies-literature

{5-Methyl-1-[8-(trifluoro-meth-yl)quinolin-4-yl]-1H-1,2,3-triazol-4-yl}(morpholino)methanone.

Project description:In the title mol-ecule, C(18)H(16)F(3)N(5)O(2), the dihedral angle between the pyridine ring and the fused benzene ring is 4.50 (10)°. The triazole ring makes dihedral angles of 54.48 (12) and 57.91 (11)° with the pyridine and benzene rings, respectively. The morpholine ring atoms are disordered over two positions; the site-occupancy factors are ca 0.53 and 0.47. Inter-molecular C-H⋯F hydrogen bonding is found in the crystal structure. Furthermore, C-H⋯O and C-H⋯N intra-molecular contacts are also present.

| S-EPMC2959961 | 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