Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-p-Tolyl-2,3-di-hydro-quinolin-4(1H)-one.

ABSTRACT: In the title mol-ecule, C16H15NO, the tetra-hydro-pyridine ring is in a sofa conformation with the methine C atom forming the flap. The dihedral angle between the benzene rings is 80.85?(8)°. In the crystal, mol-ecules are arranged in alternating double layers parallel to (100) and are connected along [001] by N-H?O hydrogen bonds. In addition, weak C-H?? inter-actions are observed.

SUBMITTER: Chelghoum M

PROVIDER: S-EPMC3998357 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-p-Tolyl-2,3-di-hydro-quinolin-4(1H)-one.

Chelghoum Meryem M Bouraiou Abdelmalek A Bouacida Sofiane S Bahnous Mebarek M Belfaitah Ali A

Acta crystallographica. Section E, Structure reports online 20140129 Pt 2

In the title mol-ecule, C16H15NO, the tetra-hydro-pyridine ring is in a sofa conformation with the methine C atom forming the flap. The dihedral angle between the benzene rings is 80.85 (8)°. In the crystal, mol-ecules are arranged in alternating double layers parallel to (100) and are connected along [001] by N-H⋯O hydrogen bonds. In addition, weak C-H⋯π inter-actions are observed. ...[more]

PMID: 24764918

Similar Datasets

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⋯π inter-actions.

| S-EPMC3998350 | biostudies-literature

2-(Di-phenyl-methyl-idene)-2,3-di-hydro-1H-inden-1-one.

Project description:In the title mol-ecule, C22H16O, the indanone ring system is approximately planar with a dihedral angle between the fused rings of 5.13?(14)°. Two benzene rings are linked together at one side of a double bond, sitting on either side of the indanone ring system and making dihedral angles of 70.30?(12) and 44.74?(13)° with it. In the crystal, hydrogen bonding is not present, but weak C-H?? or ?-? inter-actions occur and mol-ecules form a sheet-like structure in the bc plane.

| S-EPMC3793795 | biostudies-literature

(2E)-2-(4-Bromo-benzyl-idene)-2,3-di-hydro-1H-inden-1-one.

Project description:The title indan-1-one derivative, C(16)H(11)BrO, is planar, the r.m.s. deviation for all 18 non-H atoms being 0.071?Å. The configuration about the C=C bond [1.337?(5)?Å] is E. In the crystal, supra-molecular layers in the ab plane are formed by C-H?O inter-actions, involving the bifurcated carbonyl O atom, as well as C-H?? inter-actions. The studied crystal was an inversion twin.

| S-EPMC3295522 | 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-(4-Bromo-phen-yl)-2-methyl-2,3-di-hydro-quinazolin-4(1H)-one.

Project description:In the title compound, C(15)H(13)BrN(2)O, the pyrimidine ring adopts a skew boat conformation. The amino H atom forms an inter-molecular hydrogen bond with the carbonyl O atom of an adjacent mol-ecule, forming an inversion dimer. Another lone pair of electrons on the same carbonyl O atom acts as acceptor for another N-H?O inter-molecular hydrogen bond with a neighbouring mol-ecule, forming chains along the c axis.

| S-EPMC2979070 | biostudies-literature

Ortho-rhom-bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl-idene)-2,3-di-hydro-1H-inden-1-one.

Project description:The title compound, C(18)H(14)O, is polymorphic at 123 K. The ortho-rhom-bic form reported herein has two independent mol-ecules in the asymmetric unit, with mol-ecular volume 313.5 Å(3). The previously reported triclinic (P-1) form [Raston & Scott (2000 ▶). Green Chem., 2, 49-52] has mol-ecular volume 309.6 Å(3) at the same temperature. All three mol-ecules deviate significantly and systematically from the putative C(s) symmetry (δ(r.m.s.) = 0.0265, 0.0256, 0.0497 Å). Comparison of the two molecules in the orthorhombic polymorph shows that 16 of the 19 equivalent pairs of framework atoms have a mirror-image pattern of deviations (above/below plane), suggesting that the two are quasi-enanti-omorphs. The pattern of deviations in the triclinic form is nearly the same (13 of 19 atom pairs) as the ortho-rhom-bic form.

| S-EPMC3435792 | biostudies-literature

Crystal structure of 2-tert-butyl-2,3-di-hydro-1H-benzo[c]pyrrol-1-one.

Project description:The asymmetric unit of the title compound, C12H15NO, comprises two sym-metry-independent mol-ecules which differ mainly in the conformations of the tert-butyl groups. The mol-ecules contain an essentially planar five-membered 3-pyrroline ring incorporating a carbonyl substituent (pyrrolinone) which forms part of an isoindolinone skeleton. The planarity of the pyrrole ring is compared to other structures with isoindolinone. There are only weak intra- and inter-molecular C-H?O and C-H??-electron-ring inter-actions in the crystal structure.

| S-EPMC5598845 | biostudies-literature

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

Project description: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.

| S-EPMC3213526 | biostudies-literature

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

2,3-Diphenyl-2,3-di-hydro-4H-1,3-benzo-thia-zin-4-one.

Project description:In the title compound, C20H15NOS, the dihedral angle between the phenyl rings is 74.25 (6)°. The six-membered 1,3-thia-zine ring has an envelope conformation with the C atom at the 2-position forming the flap. The crystal structure features weak C-H⋯O inter-actions, which lead to the formation of a tape motif along [110].

| S-EPMC3998534 | 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