Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2-Chloro-6,7-dimethyl-quinolin-3-yl)-2,3-dihydro-quinolin-4(1H)-one.

ABSTRACT: In the title mol-ecule, C(20)H(17)ClN(2)O, the dihedral angle between the mean plane of the quinoline ring system and the benzene ring of the dihydro-quinolinone moiety is 57.84?(8)°. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of inter-molecular N-H?N hydrogen bonds. These dimers are further stabilized by weak ?-? stacking inter-actions between pyridine rings with a centroid-centroid distance of 3.9414?(12)?Å.

SUBMITTER: Benzerka S

PROVIDER: S-EPMC3213526 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(2-Chloro-6,7-dimethyl-quinolin-3-yl)-2,3-dihydro-quinolin-4(1H)-one.

Benzerka Saida S Bouraiou Abdelmalek A Bouacida Sofiane S Roisnel Thierry T Belfaitah Ali A

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

In the title mol-ecule, C(20)H(17)ClN(2)O, the dihedral angle between the mean plane of the quinoline ring system and the benzene ring of the dihydro-quinolinone moiety is 57.84 (8)°. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of inter-molecular N-H⋯N hydrogen bonds. These dimers are further stabilized by weak π-π stacking inter-actions between pyridine rings with a centroid-centroid distance of 3.9414 (12) Å. ...[more]

PMID: 22091105

Similar Datasets

rac-2-(2-Chloro-6-methyl-quinolin-3-yl)-2,3-dihydro-quinolin-4(1H)-one.

Project description:In the title compound, C(19)H(15)ClN(2)O, the quinoline ring forms a dihedral angle of 43.24?(1)° with the benzene ring of the dihydroquinolinyl system. In the crystal, mol-ecules are linked through a single weak C-H?O hydrogen bond, forming ribbons which extend along (100), giving alternating zigzag mol-ecular layers which stack down the b-axis direction.

| S-EPMC3379295 | biostudies-literature

2-(2,4,5-Trimeth-oxy-phen-yl)-2,3-dihydro-quinolin-4(1H)-one.

Project description:In the title aza-flavanone, C(18)H(19)NO(4), an intra-molecular cyclization product of chalcone, the central heterocyclic ring is in an envelope conformation and the dihedral angle between the benzene rings is 51.03?(10)°. The meth-oxy groups at the ortho and para positions are slightly twisted from the benzene ring to which they are bound [C-O-C-C = 21.9?(3) and -171.93?(18)°, respectively], whereas the meth-oxy group at the meta position is almost coplanar [C-O-C-C = 3.5?(3)°]. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds and weak C-H?O inter-actions into chains along the [001] direction. Weak C-H?? inter-actions also occur.

| S-EPMC3295454 | biostudies-literature

1-Benzyl-2,3-dihydro-quinolin-4(1H)-one.

Project description:In the title compound, C(16)H(15)NO, the two aromatic rings are approximately perpendicular; the carbonyl group is twisted out of the adjacent benzene ring by 14.8?(2)°. In the heterocyclic ring, the C atom linked to the carbonyl group and the C atom linked to the N atom have opposite deviations of 0.467?(5) and 0.184?(4)?Å, respectively, from the plane of the benzene ring. The N atom lies approximately in the plane of the phenyl ring. There are no conventional hydrogen bonds; the packing of mol-ecules in the crystal structure is stabilized by van der Waals forces.

| S-EPMC2960188 | biostudies-literature

2-(2-Chloro-phen-yl)-2,3-dihydro-quinazolin-4(1H)-one.

Project description:The title compound, C(14)H(11)ClN(2)O, was synthesized by the reaction of 2-chloro-benzaldehyde and 2-amino-benzamide in an ionic liquid. The pyrimidine ring adopts a skew-boat conformation and the two benzene rings make a dihedral angle of 87.1?(1)°. In the crystal, N-H?O and C-H?N hydrogen bonding links the mol-ecules along b.

| S-EPMC2970036 | biostudies-literature

2-(3-Morpholino-prop-yl)-2,3-dihydro-1H-pyrrolo-[3,4-b]quinolin-1-one monohydrate.

Project description:In the title compound, C(18)H(21)N(3)O(2)·H(2)O, the fused-ring system is approximately planar [maximum atomic deviation = 0.028?(3)?Å]; the morpholine ring displays a chair conformation. The crystal packing is stabilized by classical inter-molecular O-H?O and O-H?N hydrogen bonds and weak C-H?O hydrogen bonds between the organic mol-ecules and the water mol-ecules.

| S-EPMC3011724 | biostudies-literature

4-((E)-{2-[N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carboximido-yl]benzyl-idene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one.

Project description:The title compound, C(30)H(28)N(6)O(2), is a symmetric diimine derived from ortho-dibenzaldehyde. Both C=N bonds are (E)-configured. The terminal N-bonded phenyl groups adopt staggered conformations relative to their respective parent heterocycles, the relevant least-squares planes inter-sect at angles of 32.35?(11) and 38.59?(10)°. In the crystal, C-H?O contacts connect the mol-ecules into chains along the b axis and give rise to a C(1) (1)(14)C(1) (1)(14) and a R(2) (2)(12) pattern on different levels of graph-set analysis. The shortest inter-centroid distance between two centroids was found at 4.2074?(11)?Å between the two five-membered heterocycles.

| S-EPMC3201528 | biostudies-literature

2-(4-Chloro-phen-yl)-2,3-di-hydro-quinolin-4(1H)-one.

Project description:The title mol-ecule, C15H12ClNO, features a di-hydro-quinolin-4(1H)-one moiety attached to a chloro-benzene ring. The heterocyclic ring has a half-chair conformation with the methine C atom lying 0.574?(3)?Å above the plane of the five remaining atoms (r.m.s. deviation = 0.0240?Å). The dihedral angles between the terminal benzene rings is 77.53?(9)°, indicating a significant twist in the mol-ecule. In the crystal, supra-molecular zigzag chains along the c-axis direction are sustained by N-H?O hydrogen bonds. These are connected into double chains by C-H?? inter-actions.

| S-EPMC3998350 | biostudies-other

RNA sequencing of murine C2C12 cell treated with high-throughput screening hit compound 6,8-dimethyl-3-(4-phenyl-1H-imidazol-5-yl)quinolin-2(1H)-one.

Project description:The hit compound promotes expression and acitivity of alkaline phosphatase in murine cells that are bipotential for myogenic and osteoblastogenic differentiaion. RNA sequecing was performed to assess global transcript expression, with particular attention to genes indicative of osteoblast and bone differentiation.

2020-01-15 | GSE125052 | GEO

6-(2-Chloro-benz-yl)-1-(4-chloro-phen-yl)-7-hy-droxy-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one.

Project description:The title compound, C(19)H(15)Cl(2)N(3)O(2), was obtained by a one-step cyclo-condensation of 2-amino-1-(4-chloro-phen-yl)imidazoline with diethyl (2-chloro-benz-yl)malonate under basic conditions. In the crystalline state, the mol-ecule exists as the 7-hy-droxy-5-oxo tautomer. The dihedral angles between the fused imidazopyrimidine and aromatic chloro-phenyl and chloro-benzyl rings are 14.2?(1) and 70.7?(1)°, respectively. The conformation of the mol-ecule is influenced by the intra-molecular C-H?O and C-H?N hydrogen bonds, giving a nearly planar five-ring fused system [maximum deviation from the mean plane = 0.296?(2)?Å]. In the crystal structure, strong inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains along the c axis. These chains are further stabilized by weak C-H?Cl and ?-? inter-actions [centroid-centroid distance = 3.6707?(12)?Å].

| S-EPMC3009369 | biostudies-literature

2,2-Dimethyl-2,3-dihydro-1H-perimidine.

Project description:The title compound, C(13)H(14)N(2), was obtained from reaction of diaminona-phthalene with acetone. In both independent mol-ecules in the asymmetric unit, the tricyclic perimidine consists of a planar (r.m.s. deviations = 0.0125 and 0.0181?Å) naphthalene ring system and an envelope conformation C(4)N(2) ringwith the NCN group hinged with respect to the naph-thalene backbone by 36.9?(2) and 41.3?(2)° in the two independent molecules. The methyl substituents are arranged approximately axial and equatorial on the apical C atom. In the crystal, one of the N-H groups of one independent mol-ecule is involved in classical N-H?N hydrogen bonding. Short inter-molecular (C/N)-H??(arene) inter-actions, near the short T-shaped limit, link mol-ecules in the absence of strong acceptors.

| S-EPMC3569779 | 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