Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2-Hy-droxy-phen-yl)-3,4-dihydro-iso-quinolin-1(2H)-one.

ABSTRACT: There are two independent mol-ecules in the asymmetric unit of the title compound, C(15)H(13)NO(2), in both the six-membered dihydro-pyridine rings adopt a half-chair conformation. The two benzene rings make dihedral angles of 43.66?(10) and 62.22?(10)° in the two mol-ecules. In the crystal, the two independent mol-ecules are linked alternately by inter-molecular O-H?O hydrogen bonds, forming a zigzag chain along the c axis. Furthermore, inter-molecular C-H?? inter-actions link the chains into a three-dimensional network.

SUBMITTER: Yang J

PROVIDER: S-EPMC3201540 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(2-Hy-droxy-phen-yl)-3,4-dihydro-iso-quinolin-1(2H)-one.

Yang Jian J Ma Yanni Y Pan Meng M Cao Fangjun F Zhou Le L

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

There are two independent mol-ecules in the asymmetric unit of the title compound, C(15)H(13)NO(2), in both the six-membered dihydro-pyridine rings adopt a half-chair conformation. The two benzene rings make dihedral angles of 43.66 (10) and 62.22 (10)° in the two mol-ecules. In the crystal, the two independent mol-ecules are linked alternately by inter-molecular O-H⋯O hydrogen bonds, forming a zigzag chain along the c axis. Furthermore, inter-molecular C-H⋯π inter-actions link the chains into a ...[more]

PMID: 22065631

Similar Datasets

2-Hy-droxy-2-trifluoro-methyl-3,4-dihydro-2H-1-benzopyran-4-one.

Project description:The heterocyclic ring in the title compound, C(10)H(7)F(3)O(3), has a half-boat conformation with the hy-droxy-bearing C atom lying 0.595?(3)?Å out of the plane of the five remaining atoms (r.m.s. deviation = 0.022?Å) in the direction of the hy-droxy O atom. Linear supra-molecular chains along the a axis, sustained by O-H?O hydrogen bonds between the hy-droxy H and ketone O atoms, feature in the crystal packing. These chains are connected into a three-dimensional architecture by C-H?O and C-H?F contacts.

| S-EPMC3394075 | biostudies-literature

4-Hy-droxy-3-[(4-hy-droxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thien-yl)meth-yl]-6-methyl-3,6-dihydro-2H-pyran-2-one.

Project description:The asymmetric unit of the title compound, C(17)H(14)O(6)S, contains four crystallographically independent mol-ecules in which the pyran-one units are essentially planar, with maximum deviations of 0.016?(2), 0.019?(2), 0.025?(2), 0.014?(2), 0.020?(2), 0.010?(2), 0.003?(2) and 0.012?(2)?Å. One of the thio-phene rings is disordered over two positions, with an occupancy ratio of 0.739?(4):0.261?(4). The dihedral angles between the two pyran-one rings in the independent mol-ecules are 59.42?(8), 48.67?(8), 60.62?(9) and 51.60?(8)°. In the crystal, mol-ecules are linked through inter-molecular O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3051638 | biostudies-literature

3-[5-(2,4-Dichloro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-4-hy-droxy-2H-chromen-2-one.

Project description:In the title compound, C(24)H(16)Cl(2)N(2)O(3), the chromene ring system is almost planar, with a maximum deviation of 0.042?(1)?Å. It makes dihedral angles of 3.72?(6), 73.37?(5) and 12.00?(5)° with the dihydro-pyrazole, benzene and phenyl rings, respectively. An intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. In the crystal, mol-ecules are linked via C-H?O inter-actions, forming an infinite chain along the a axis. The crystal packing is further stabilized by a ?-? stacking inter-action [centroid-centroid distance = 3.5471?(7)?Å] and a Cl?Cl short contact [Cl?Cl = 3.214?(1)?Å].

| S-EPMC3051483 | biostudies-literature

3-Hy-droxy-1-methyl-2-[4-(piperidin-1-yl)phen-yl]quinolin-4(1H)-one.

Project description:There are two structurally similar but crystallographically independent mol-ecules (A and B) in the asymmetric unit of the title compound, C(21)H(22)N(2)O(2), which are linked via two O-H⋯O hydrogen bonds. An intramolecular O-H⋯O hydrogen bond also occurs in each molecule. In the crystal, the A and B mol-ecules are further linked through C-H⋯O inter-actions. The benzene ring is twisted at an angle of 69.9 (1) and 83.4 (1)° relative to the 1,4-dihydro-quinoline skeleton in mol-ecules A and B, respectively. Adjacent 1,4-dihydro-quinoline units of mol-ecules A are parallel, while mol-ecules A and B are oriented at an angle of 32.8 (1)°.

| S-EPMC3051995 | biostudies-literature

(2E)-1-(3,4-Dichloro-phen-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(10)Cl(2)O(2), the dihedral angle between the mean planes of the two benzene rings is 7.7?(6)°. The crystal packing is influenced by O-H?O hydrogen bonds, which form chains along [010]. Weak ?-? stacking inter-actions [centroid-centroid distance = 3.6697?(13)?Å] are observed, which may contribute to the crystal packing stability.

| S-EPMC3275046 | biostudies-literature

6-Hy-droxy-1,2-dihydro-4H-pyrrolo-[3,2,1-ij]quinolin-4-one.

Project description:The mol-ecule of the title compound, C11H9NO2, is essentially planar [r.m.s. deviation of the non-H atoms = 0.056?(1)?Å]. In the crystal, strong O-H?O hydrogen bonds form zigzag chains along the b axis. The mol-ecules form stacks along the a axis due to ?-? inter-actions, the shortest distance between the centroids of the benzene and pyridinone rings being 3.6146?(7)?Å.

| S-EPMC3588512 | biostudies-literature

4-(3,4-Dichloro-phen-yl)-3,4-dihydronaphthalen-1(2H)-one.

Project description:The title compound, C(16)H(12)Cl(2)O, was synthesized from 1-naphthol and 1,2-dichloro-benzene with anhydrous aluminium chloride as a cataylst. In the mol-ecule, the two ring systems are approximately perpendicular to one other with a dihedral angle of 82.06?(4)°. There are two CH-type hydrogen bonds.

| S-EPMC2915198 | biostudies-literature

Crystal structure of (E)-4-hy-droxy-3-{1-[(4-hy-droxy-phen-yl)imino]-eth-yl}-6-methyl-2H-pyran-2-one.

Project description:In the title Schiff base, C14H13NO4, which adopts the phenol-imine tautomeric form, the dihedral angle between the planes of the benzene and heterocyclic (r.m.s. deviation = 0.037 Å) rings is 53.31 (11)°. An intra-molecular O-H⋯N hydrogen bond closes an S(6) ring. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds to generate C(11) chains propagating in the [010] direction. A weak C-H⋯O link is also observed, leading to the formation of R (5) 5(32) rings extending parallel to the (101) plane.

| S-EPMC4571398 | biostudies-literature

7-Amino-4-hy-droxy-4-trifluoro-methyl-3,4-dihydro-quinolin-2(1H)-one.

Project description:The title compound, C(10)H(9)F(3)N(2)O(2), was prepared by the reaction of m-phenyl-enediamine and ethyl 4,4,4-trifluoro-acetoacetate. In the crystal, inter-molecular C-H? F, N-H?F, O-H?N and N-H?O inter-actions contribute to the crystal packing.

| S-EPMC3201506 | biostudies-other

4-Hy-droxy-3-[(4-hy-droxy-2-oxo-2H-3-chromen-yl)(3-thien-yl)meth-yl]-2H-chromen-2-one.

Project description:The whole mol-ecule of the title compound, C(23)H(14)O(6)S, is disordered over two sets of sites with refined occupancies of 0.8733?(12):0.1267?(12). The dihedral angle between the mean planes through the chromene ring systems is 56.31?(5) and 55.2?(3)° for the major and minor components, respectively. In both components, a pair of intra-molecular O-H?O inter-actions generate rings of S(8) graph-set motif. In the crystal, the mol-ecules are linked by inter-molecular C-H?O inter-actions, forming chains along the b axis. The structure is further stabilized by ?-? inter-actions with centroid-centroid distances of 3.594?(2) and 3.608?(5)?Å.

| S-EPMC3089123 | 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