Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Chloro-phenyl quinoline-2-carboxyl-ate.

ABSTRACT: In the title compound, C16H10ClNO2, the dihedral angle between the quinoline ring system and the benzene ring is 14.7?(5)°. The carboxyl-ate group is twisted from the mean planes of the quinoline ring system and the benzene ring by 17.7?(5) and 32.1?(4)°, respectively. In the crystal, inversion dimers are formed with the molecules linked by pairs of weak C-H?O inter-actions arising from an activated aromatic C atom adjacent to the C-Cl bond, generating R 2 (2)(14) loops.

SUBMITTER: Fazal E

PROVIDER: S-EPMC3885084 | biostudies-other | 2013 Nov

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4-Chloro-phenyl quinoline-2-carboxyl-ate.

Fazal E E Kaur Manpreet M Sudha B S BS Nagarajan S S Jasinski Jerry P JP

Acta crystallographica. Section E, Structure reports online 20131130 Pt 12

In the title compound, C16H10ClNO2, the dihedral angle between the quinoline ring system and the benzene ring is 14.7 (5)°. The carboxyl-ate group is twisted from the mean planes of the quinoline ring system and the benzene ring by 17.7 (5) and 32.1 (4)°, respectively. In the crystal, inversion dimers are formed with the molecules linked by pairs of weak C-H⋯O inter-actions arising from an activated aromatic C atom adjacent to the C-Cl bond, generating R 2 (2)(14) loops. ...[more]

PMID: 24454260

Similar Datasets

Methyl 6-chloro-2-methyl-4-phenyl-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(18)H(14)ClNO(2), the quinoline ring system is planar (r.m.s. deviation = 0.032?Å) and the phenyl ring is twisted away from it by 57.5?(1)°. The crystal structure is stabilized by weak C-H?? inter-actions.

| S-EPMC2980164 | biostudies-literature

4-Chloro-3-methyl-phenyl quinoline-2-carboxyl-ate.

Project description:In the title compound, C17H12ClNO2, the dihedral angle between the mean planes of the quinoline ring system and the benzene ring is 68.7?(7)°. The mean plane of the carboxyl-ate group is twisted from the latter planes by 14.0?(1) and 80.2?(4)°, respectively. In the crystal, weak C-H?O inter-actions are observed, forming chains along [001]. In addition, ?-? stacking inter-actions [centroid-centroid distances = 3.8343?(13) and 3.7372?(13)Å] occur. No classical hydrogen bonds were observed.

| S-EPMC3885085 | biostudies-other

Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(18)H(14)ClNO(3), the dihydro-quinolin-2-one ring system is almost planar (r.m.s. deviation = 0.033?Å). The carboxyl-ate plane and the phenyl group are twisted away from the dihydro-quinolin-2-one ring system by 50.3?(1) and 64.9?(1)°, respectively. In the crystal structure, inversion-related mol-ecules form R(2) (2)(8) dimers via pairs of N-H?O hydrogen bonds.

| S-EPMC2972051 | biostudies-literature

4-Methyl-phenyl quinoline-2-carboxyl-ate.

Project description:In the title compound, C(17)H(13)NO(2), two mol-ecules crystallize in the asymmetric unit. The dihedral angle between the mean planes of the quinoline and benzene rings are 78.3?(4) and 88.2?(3)°. The carboxyl-ate group is twisted slightly from the quinoline ring by 7.1?(2) and 13.3?(4)°, respectively. In the crystal, weak C-H?O inter-actions are observed. Further stabilization is provided by weak ?-? stacking inter-actions, with centroid-centroid distances of 3.564?(9)/3.689?(2) and 3.830?(1)/3.896?(5)Å, respectively.

| S-EPMC3515313 | biostudies-literature

Ethyl 6-chloro-2-methyl-4-phenyl-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(19)H(16)ClNO(2), the quinoline ring system is planar (r.m.s. deviation = 0.008?Å). The phenyl group and the -CO(2) fragment of the ester unit form dihedral angles of 60.0?(1) and 60.5?(1)°, respectively, with the quinoline ring system.

| S-EPMC2971842 | biostudies-other

3,4-Di-methyl-phenyl quinoline-2-carboxyl-ate.

Project description:In the title compound, C18H15NO2, the dihedral angle between the mean planes of the quinoline ring system and the phenyl ring is 48.1 (5)°. The mean plane of the carboxyl-ate group is twisted from the mean planes of the latter by 19.8 (8) and 64.9 (5)°, respectively. The crystal packing features weak C-H⋯O inter-actions, which form chains along [010].

| S-EPMC3885092 | biostudies-literature

Ethyl 2,6-dichloro-4-phenyl-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(18)H(13)Cl(2)NO(2), the quinoline ring system is almost planar (r.m.s. deviation 0.009?Å), and the phenyl and carboxyl-ate planes are twisted away from it by 59.2?(1) and 65.9?(2)°, respectively.

| S-EPMC2971778 | biostudies-literature

Ethyl 2-methyl-4-phenyl-quinoline-3-carboxyl-ate.

Project description:In the mol-ecule of the title compound, C(19)H(17)NO(2), the quinoline ring system is planar [maximum deviation 0.021 (3) Å] and oriented with respect to the phenyl ring at a dihedral angle of 80.44 (4)°. Intra-molecular C-H⋯O inter-actions result in the formation of five- and six-membered rings having planar and envelope conformations, respectively. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers forming R(2) (2)(12) ring motifs. π-π contacts between the rings of the quinoline system [centroid-to-centroid distance = 3.812 (1) Å] may further stabilize the structure. Two weak C-H⋯π inter-actions are also found.

| S-EPMC2969813 | biostudies-literature

Crystal structure of ethyl 2,4-di-chloro-quinoline-3-carboxyl-ate.

Project description:In the crystal structure of the title compound, C12H9Cl2NO2, the mean planes through the quinoline and carboxyl-ate groups have r.m.s. deviations of 0.006 and 0.021?Å, respectively, and form a dihedral angle of 87.06?(19)°. In the crystal, mol-ecules are linked via very weak C-H?O hydrogen bonds, forming chains, which propagate along the c-axis direction.

| S-EPMC4719891 | biostudies-literature

2-Bromo-ethyl 2-chloro-6-methyl-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(13)H(11)BrClNO(2), the two rings of the quinoline group are fused in an axial fashion at a dihedral angle of 1.28 (9)°. In the crystal, molecules are arranged in zigzag layers along the c axis. The crystal packing is stabilized by weak C-H⋯O hydrogen bonds and inter-molecular inter-actions between Br and O atoms [Br⋯O= 3.076 (2) Å], resulting in the formation of a three-dimensional network.

| S-EPMC2983929 | 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