Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-[2-(3-Fluoro-phen-yl)ethen-yl]quinolin-8-yl acetate.

ABSTRACT: In the crystal of the title compound, C(19)H(14)FNO(2), the mol-ecules are linked by C-H?O hydrogen bonds in translational chains along the b axis. The dihedral angles formed by the quinoline system with the fluoro-benzene ring and the acet-oxy group are 8.15?(3) and 77.42?(4)°, respectively.

SUBMITTER: Huo YP

PROVIDER: S-EPMC3414338 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-[2-(3-Fluoro-phen-yl)ethen-yl]quinolin-8-yl acetate.

Huo Yan-Ping YP Nie Xiao-Li XL Fang Xiao-Ming XM

Acta crystallographica. Section E, Structure reports online 20120710 Pt 8

In the crystal of the title compound, C(19)H(14)FNO(2), the mol-ecules are linked by C-H⋯O hydrogen bonds in translational chains along the b axis. The dihedral angles formed by the quinoline system with the fluoro-benzene ring and the acet-oxy group are 8.15 (3) and 77.42 (4)°, respectively. ...[more]

PMID: 22904871

Similar Datasets

(E)-2-[2-(Penta-fluoro-phen-yl)ethen-yl]-8-quinolyl acetate.

Project description:The title compound, C(19)H(10)F(5)NO(2), was synthesized by the 1:1 condensation of 2-methyl-8-hydroxy-quinaldine with penta-fluoro-benzaldehyde. It crystallizes with two almost identical mol-ecules in the asymmetric unit. The penta-fluoro-benzene ring is essentially coplanar with the quinoline ring, forming dihedral angles of 2.49?(17) and 8.72?(16)° in the two mol-ecules.

| S-EPMC2971354 | biostudies-literature

(E)-2-[2-(3-Nitro-phen-yl)ethen-yl]quinolin-8-ol.

Project description:In the title compound, C17H12N2O3, the mean planes of the benzene ring and the quinoline moiety are inclined to one another by 11.0?(1)°. The nitro substituent is twisted at an angle of 7.9?(2)° with respect to the attached benzene ring. Intra-molecular O-H?N and C-H?N hydrogen bonds occur. The crystal is constructed of mol-ecular stacks without involvement of ?-stacking inter-actions, but showing inter-stack association via O-H?O and C-H?O hydrogen bonding. Thus, the supramolecular architecture of the crystal results from stacked molecules stabilized by hydrogen bonding between the stacks.

| S-EPMC3884316 | biostudies-literature

(E)-2-[2-(2-Nitro-phen-yl)ethen-yl]-8-quinolyl acetate.

Project description:The title compound, C(19)H(14)N(2)O(4), crystallizes with two molecules with very similar conformations in the asymmetric unit; the angles between the two ring systems are 8.7 (1) and 4.2 (1)°. In the crystal, inter-molecular π-π inter-actions [centroid-centroid distance 3.973 (1) Å] lead to a three-dimensional network.

| S-EPMC2970963 | biostudies-literature

5-(4-Fluoro-phen-yl)-2H-pyrazol-1-ium 2,2,2-tri-fluoro-acetate.

Project description:The title salt, C9H8FN2 (+)·C2F3O2 (-), crystallizes with two independent cations (A and B) and two independent anions (C and D) in the asymmetric unit. In the cations, the dihedral angles between the benzene and pyrazolium rings are 23.7 (3)° in cation A and 1.8 (8)° in cation B. In the crystal, each anion links to the two cations via N-H⋯O hydrogen bonds, forming a U-shaped unit with an R 4 (4)(14) ring motif. These U-shaped units stack along the a axis and are linked via C-H⋯O and C-H⋯F hydrogen bonds, forming slabs lying parallel to (100). Within the slabs there are π-π inter-actions between the pyrazolium rings [inter-centroid distance = 3.6326 (15) Å] and between the benzene rings [inter-centroid distance = 3.7244 (16) Å]. In the anions, the F atoms of the tri-fluoro-methyl groups are disordered over two sets of sites, with refined occupancy ratios of 0.58 (3):0.42, 0.540 (14):0.46 (14), and 0.55 (2):0.45 (2) for anion C, and 0.73 (5):0.27 (5), 0.63 (5):0.37 (5), and 0.57 (8):0.43 (8) for anion D.

| S-EPMC3998555 | biostudies-literature

(E)-2-[2-(4-Carb-oxy-phen-yl)ethen-yl]-8-hydroxy-quinolin-1-ium chloride ethanol monosolvate.

Project description:In the title compound, C18H14NO3 (+)·Cl(-)·CH3CH2OH, the dihedral angle formed by the mean planes of the quinolinium and benzene rings is 3.4?(1)°, while the carb-oxy substituent is tilted at an angle of 4.8?(1)° with respect to the benzene ring. There is a short N-H?O contact in the cation. In the crystal, due to the planar mol-ecular geometry, two-dimensional aggregates are formed parallel to (221) via C-H?O, C-H?Cl, O-H?Cl and N-H?Cl hydrogen bonds. Inter-layer association is accomplished by O-Hethanol?Cl and O-H?Oethanol hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances vary from 3.6477?(12) to 3.8381?(11)?Å]. A supra-molecular three-dimensional architecture results from a stacked arrangement of layers comprising the ionic and hydrogen-bonded components.

| S-EPMC3885045 | biostudies-literature

2-[(E)-2-(4-Eth-oxy-phen-yl)ethen-yl]-1-methyl-quinolinium 4-fluoro-benzene-sulfonate.

Project description:In the structure of the title salt, C20H20NO(+)·C6H4FO3S(-), the 4-(eth-oxy-phen-yl)ethenyl unit is disordered over two positions with a refined site-occupancy ratio of 0.610?(6):0.390?(6). The cation is nearly planar, the dihedral angle between the quinolinium and benzene rings being 6.7?(4) and 1.7?(7)° for the major and minor components, respectively. The eth-oxy group is essentially coplanar with the benzene ring [C-O-C-Cmethy = 177.1?(8) and 177.8?(12)° for the major and minor components, respectively]. In the crystal, cations and anions are linked into chains along the b-axis direction by C-H?Osulfon-yl weak inter-actions. These chains are further connected into sheets parallel to (001) by C-H?Osulfon-yl weak inter-actions. The chains are also stacked along the a axis through ?-? inter-actions involving the quinolinium and benzene rings [centroid-centroid distances = 3.636?(5)?Å for the major component and 3.800?(9)?Å for the minor component]. C-H?? inter-actions are also present.

| S-EPMC3914062 | biostudies-literature

4-[Bis(4-fluoro-phen-yl)meth-yl]piperazin-1-ium bis-(trichloro-acetate) 0.4-hydrate.

Project description:The title compound, C(17)H(20)F(2)N(2) (2+)·2C(2)Cl(3)O(2) (-)·0.4H(2)O, has twofold protonated N atoms. The trichloro-acetate anions each show one disordered Cl atom with site occupation factors of 0.945 (7):0.055 (7) 0.945 (8):0.055 (8). In the crystal, N-H⋯O, O(water)-H⋯O and O(water)-H⋯F inter-actions connect the components into a three-dimensional network.

| S-EPMC3343943 | biostudies-literature

cis-Bis[2-(1,3-benzothia-zol-2-yl)-1-(4-fluoro-phen-yl)ethen-yl](pentane-2,4-dionato-κO,O')iridium(III).

Project description:In the title compound, [Ir(C(15)H(9)FNS)(2)(C(5)H(7)O(2))], the Ir atom is hexa-coordinated by three chelating ligands, with two cyclo-metalated 2-(1,3-benzothia-zol-2-yl)-1-(4-fluoro-phen-yl)ethenyl ligands showing N,C-bidentate coordination and an O,O'-bidenate pentane-2,4-dionate anion, thereby forming a distorted octa-hedral enviroment.

| S-EPMC2968936 | biostudies-literature

N-{2-[2-(2,6-Dichloro-3,5-dimethoxy-phen-yl)ethen-yl]phen-yl}acetamide.

Project description:The C=C double bond in the title substituted stilbene, C(18)H(17)Cl(2)NO(3), has a trans arrangement of the aryl substit-uents. The aromatic ring of the 2-acetyl-amino-phenyl substit-uent is twisted by 39.9?(3)° with respect to the central C-C=C-C unit and that of the 2,6-dichloro-3,5-dimethoxy-phenyl substitutent is twisted by 42.7?(3)°.

| S-EPMC2968122 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

Project description:In the title compound, C14H8Cl2FN3O2, the 4-fluoro-phenyl ring and the nitro-substituted benzene ring form a dihedral angle of 63.29?(8)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into chains running parallel to the c axis. The crystal packing is further stabilized by C-Cl??, C-F?? and N-O?? inter-actions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H?O/O?H (15.5%), H?H (15.3%), Cl?H/H?Cl (13.8%), C?H/H?C (9.5%) and F?H/H?F (8.2%) inter-actions.

| S-EPMC6362658 | 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