Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-{6-Chloro-2-[(2-chloro-3-quinol-yl)meth-oxy]-4-phenyl-3-quinol-yl}ethan-1-one.

ABSTRACT: In the title compound, C(27)H(18)Cl(2)N(2)O(2), the 2-chloro-quinoline and 6-chloro-quinoline rings are almost planar, with maximum deviations from their mean planes of 0.072?(1) and 0.044?(1)?Å, respectively, for the Cl atoms. The inter-planar angle between these rings is 14.36?(5)°. The inter-planar angle between the 6-chloro-quinoline and phenyl rings is 66.00?(8)°. In the crystal, mol-ecules are inter-linked by weak C-H?O, C-H?? and ?-? stacking [centroid-centroid distances = 3.7453?(10) and 3.7557?(9)?Å] inter-actions.

SUBMITTER: Khan FN

PROVIDER: S-EPMC3007010 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-{6-Chloro-2-[(2-chloro-3-quinol-yl)meth-oxy]-4-phenyl-3-quinol-yl}ethan-1-one.

Khan F Nawaz FN Roopan S Mohana SM Kumar Rajesh R Hathwar Venkatesha R VR Akkurt Mehmet M

Acta crystallographica. Section E, Structure reports online 20100609 Pt 7

In the title compound, C(27)H(18)Cl(2)N(2)O(2), the 2-chloro-quinoline and 6-chloro-quinoline rings are almost planar, with maximum deviations from their mean planes of 0.072 (1) and 0.044 (1) Å, respectively, for the Cl atoms. The inter-planar angle between these rings is 14.36 (5)°. The inter-planar angle between the 6-chloro-quinoline and phenyl rings is 66.00 (8)°. In the crystal, mol-ecules are inter-linked by weak C-H⋯O, C-H⋯π and π-π stacking [centroid-centroid distances = 3.7453 (10) and ...[more]

PMID: 21587841

Similar Datasets

1-(3-Meth-oxy-phen-yl)-2-(phenyl-sulfon-yl)ethan-1-one.

Project description:In the title compound, C(15)H(14)O(4)S, the dihedral angle between the benzene and phenyl rings is 88.74?(10)°. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.6092?(13)-3.8651?(13)?Å].

| S-EPMC3415004 | biostudies-literature

2-[(4-Chloro-phen-yl)sulfan-yl]-2-meth-oxy-1-phenyl-ethan-1-one: crystal structure and Hirshfeld surface analysis.

Project description:The title compound, C15H13ClO2S, comprises (4-chloro-phen-yl)sulfanyl, benzaldehyde and meth-oxy residues linked at a chiral methine-C atom (the crystal is racemic). A twist in the methine-C-C(carbon-yl) bond [O-C-C-O torsion angle = 19.3?(7)°] leads to a dihedral angle of 22.2?(5)° between the benzaldehyde and methine+meth-oxy residues. The chloro-benzene ring is folded to lie over the O atoms, with the dihedral angle between the benzene rings being 42.9?(2)°. In the crystal, the carbonyl-O atom accepts two C-H?O inter-actions with methyl- and methine-C-H atoms being the donors. The result is an helical supra-molecular chain aligned along the c axis; chains pack with no directional inter-actions between them. An analysis of the Hirshfeld surface points to the important contributions of weak H?H and C?C contacts to the mol-ecular packing.

| S-EPMC5947492 | biostudies-literature

1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinol-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone.

Project description:In the title mol-ecule, C(28)H(20)Cl(2)N(2)O(2), the dihedral angle between the 2-chloro-quinoline and 6-chloro-quinoline rings is 7.55?(6)°. The dihedral angle between the phenyl ring and its attached quinoline ring is 62.59?(4)°. In the crystal, aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.771?(3) and 3.612?(3)?Å] help to establish the packing.

| S-EPMC3007527 | biostudies-literature

Crystal structure of 2-meth-oxy-2-[(4-methyl-phen-yl)sulfan-yl]-1-phenyl-ethan-1-one.

Project description:In the title β-thio-carbonyl compound, C16H16O2S, the carbonyl and meth-oxy O atoms are approximately coplanar [O-C-C-O torsion angle = -18.2 (5)°] and syn to each other, and the tolyl ring is orientated to lie over them. The dihedral angle between the planes of the two rings is 44.03 (16)°. In the crystal, supra-molecular chains are formed along the c axis mediated by C-H⋯O inter-actions involving methine and methyl H atoms as donors, with the carbonyl O atom accepting both bonds; these pack with no specific inter-molecular inter-actions between them.

| S-EPMC4331849 | biostudies-literature

N-[(6-Bromo-2-meth-oxy-3-quinol-yl)phenyl-meth-yl]-2-morpholino-N-(1-phenyl-ethyl)acetamide.

Project description:In the title compound, C(31)H(32)BrN(3)O(3), the morpholine ring adopts a chair conformation, and the planar quinoline system is twisted with respect to the phenyl rings, with dihedral angles of 17.6?(4) and 75.1?(3)°. Intramolecular C-H?O and C-H?N hydrogen bonds are present. The crystal packing is stabilized by weak C-H?O hydrogen bonding and C-H?? interactions.

| S-EPMC2977165 | biostudies-literature

6-Chloro-3-[5-(3-meth-oxy-8-methyl-4-quinol-yl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-4-phenyl-quinoline.

Project description:In the title compound, C(36)H(29)ClN(4)O, the dihydro-pyrazole ring adopts an envelope conformation. The two quinoline ring systems (r.m.s. deviations = 0.029 and 0.018?Å) are oriented at a dihedral angle of 71.43?(4)°. One of the quinoline rings makes a dihedral angle of 65.40?(7)° with the phenyl substituent. In the crystal, mol-ecules are linked into chains along the b axis by inter-molecular C-H?N hydrogen bonds. In addition, C-H?? and ?-? [centroid-centroid distance = 3.7325?(8)?Å] inter-actions are observed.

| S-EPMC2971305 | biostudies-literature

1-[(2-Chloro-7-methyl-3-quinol-yl)meth-yl]pyridin-2(1H)-one.

Project description:In the title compound, C(16)H(13)ClN(2)O, the quinoline ring system is essentially planar, with a maximum deviation of 0.021?(2)?Å. The pyridone ring is oriented at a dihedral angle of 85.93?(6)° with respect to the quinoline ring system. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules along the b axis. Weak ?-? stacking inter-actions [centroid-centroid distances = 3.7218?(9) and 3.6083?(9)?Å] are also observed.

| S-EPMC2984016 | biostudies-literature

2-(2-Chloro-3-quinol-yl)-3-phenyl-thia-zolidin-4-one.

Project description:In the title compound, C(18)H(13)ClN(2)OS, the thia-zolidinone ring is slightly distorted and adopts a envelope conformation. The basal plane is nearly perpendicular to the quinoline ring, forming a dihedral angle of 86.1?(1)°, and makes a dihedral angle of 14.9?(1)° to the benzene ring. The benzene ring is also nearly perpendicular to the quinoline ring, forming a dihedral angle of 89.4?(1)°. In the crystal, non-classical C-H?O and C-H?N hydrogen bonds link the mol-ecules, forming polymers along b.

| S-EPMC2971196 | biostudies-literature

2-[(4-Bromo-phen-yl)sulfan-yl]-2-meth-oxy-1-phenyl-ethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry.

Project description:The title compound, C15H13BrO2S, comprises three different substituents bound to a central (and chiral) methine-C atom, i.e. (4-bromo-phen-yl)sulfanyl, benzaldehyde and meth-oxy residues: crystal symmetry generates a racemic mixture. A twist in the mol-ecule is evident about the methine-C-C(carbon-yl) bond as evidenced by the O-C-C-O torsion angle of -20.8 (7)°. The dihedral angle between the bromo-benzene and phenyl rings is 43.2 (2)°, with the former disposed to lie over the oxygen atoms. The most prominent feature of the packing is the formation of helical supra-molecular chains as a result of methyl- and methine-C-H⋯O(carbon-yl) inter-actions. The chains assemble into a three-dimensional architecture without directional inter-actions between them. The nature of the weak points of contacts has been probed by a combination of Hirshfeld surface analysis, non-covalent inter-action plots and inter-action energy calculations. These point to the importance of weaker H⋯H and C-H⋯C inter-actions in the consolidation of the structure.

| S-EPMC6658945 | biostudies-literature

6-Chloro-2-(4-meth-oxy-phen-yl)-4-phenyl-quinoline.

Project description:In the title compound, C22H16ClNO, the quinoline ring system makes dihedral angles of 56.30?(6) and 7.93?(6)°, respectively, with the adjacent phenyl and benzene rings. The dihedral angle between these phenyl and benzene rings is 56.97?(8)°. In the crystal, weak C-H?? and ?-? [centroid-centroid distances of 3.7699?(9) and 3.8390?(9)?Å] inter-actions link the mol-ecules into a layer parallel to the ab plane.

| S-EPMC3884500 | 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