Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2-Chloro-8-methyl-quinolin-3-yl)methanol.

ABSTRACT: The mol-ecule of title compound, C(11)H(10)ClNO, is close to being planar (r.m.s deviation for the non-H atoms = 0.017?Å). In the crystal, mol-ecules inter-act by way of O-H?O hydrogen bonds, generating C(2) chains propagating in [010]. The crystal structure is consolidated by C-H?? inter-actions and aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.661?(2)?Å].

SUBMITTER: Roopan SM

PROVIDER: S-EPMC3006887 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(2-Chloro-8-methyl-quinolin-3-yl)methanol.

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

Acta crystallographica. Section E, Structure reports online 20100605 Pt 7

The mol-ecule of title compound, C(11)H(10)ClNO, is close to being planar (r.m.s deviation for the non-H atoms = 0.017 Å). In the crystal, mol-ecules inter-act by way of O-H⋯O hydrogen bonds, generating C(2) chains propagating in [010]. The crystal structure is consolidated by C-H⋯π inter-actions and aromatic π-π stacking inter-actions [centroid-centroid distance = 3.661 (2) Å]. ...[more]

PMID: 21587789

Similar Datasets

(2-Chloro-6-methyl-quinolin-3-yl)methanol.

Project description:The title compound, C(11)H(10)ClNO, is close to being planar (r.m.s deviation for the non-H atoms = 0.026?Å). In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, generating C(2) chains, and weak C-H?? inter-actions and aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.713?(3)?Å] help to consolidate the structure.

| S-EPMC3007021 | biostudies-literature

(2-Chloro-benzo[h]quinolin-3-yl)methanol.

Project description:In the title mol-ecule, C(14)H(10)ClNO, all non-H atoms are coplanar (r.m.s deviation = 0.0266 Å). In the crystal, symmetry-related mol-ecules are hydrogen bonded via inter-molecular O-H⋯O inter-actions, forming chains along the b axis.

| S-EPMC2983997 | biostudies-literature

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

Project description:In the title compound, C(28)H(20)Cl(2)N(2)O(2), the 2-chloro-quinoline and 6-chloro-quinoline ring systems are twisted slightly, making a dihedral angle of 4.05?(3)°. The dihedral angle between the 2-quinoline ring system and the phenyl ring attached to it is 74.43?(5)°. In the crystal structure, a pair of inter-molecular C-H?O hydrogen bonds connect the mol-ecules, forming centrosymmetric dimers with R(2) (2)(16) motifs. The dimers are further consolidated by a C-H?? inter-action and a ?-? stacking inter-action with a centroid-centroid distance of 3.6562?(10)?Å.

| S-EPMC3006731 | biostudies-literature

Methyl 2-[(2-chloro-quinolin-3-yl)(hy-droxy)meth-yl]acrylate.

Project description:There are two independent mol-ecules (A and B) in the asymmetric unit of the title compound, C14H12ClNO3. The mean planes of the methyl ester unit (Cmeth-yl-O-C=O; r.m.s. deviation = 0.051?Å for mol-ecule A and 0.016?Å for mol-ecule B) and the chloro-quilonine ring system (r.m.s. deviation = 0.023?Å for mol-ecule A and 0.014?Å for mol-ecule B) form dihedral angles of 63.5?(1)° in mol-ecule A and 78.1?(1)° in mol-ecule B. The main difference between the two independent mol-ecules is reflected in the (H)O-C-C=C(H2) torsion angle which is -109.7?(2)° in mol-ecule A and 10.6?(2)° in mol-ecule B. An intra-molecular O-H?O hydrogen bond is observed in mol-ecule A. In the crystal, mol-ecules A and B are linked into pairs via bifurcated O-H?(N,Cl) hydrogen bonds and a weak C-H?O hydrogen bond links pairs of mol-ecules into chains along [100].

| S-EPMC3685122 | biostudies-literature

(2E)-3-(2-Chloro-7-methyl-quinolin-3-yl)-1-(6-chloro-2-methyl-4-phenyl-quinolin-3-yl)prop-2-en-1-one ethanol monosolvate.

Project description:In the title ethanol solvate, C29H20Cl2N2O·C2H5OH, the quinolinyl residues form a dihedral angle of 46.41?(4)° with each other, and each is inclined [Cp-C-C=O and C=C-C-Cp (p = pyridyl) torsion angles = 54.8?(2) and 144.44?(19)°, respectively] with respect to the almost planar bridging prop-2-en-1-one residue [O=C-C=C torsion angle = -4.1?(3)°]. The ethanol solvent mol-ecule is disordered over two positions of equal occupancy and is located close to a centre of inversion. These mol-ecules reside in cavities defined by the organic mol-ecules, which are connected into a three-dimensional architecture by C-H?Cl, C-H?O and C-H?N inter-actions, as well as ?-? contacts [inter-centroid distances = 3.5853?(10) and 3.8268?(11)?Å], each involving pyridyl rings.

| S-EPMC3884470 | biostudies-literature

(2E)-3-(2-Chloro-8-methyl-quinolin-3-yl)-1-(2,4-di-methyl-quinolin-3-yl)prop-2-en-1-one.

Project description:In the mol-ecule of the title compound, C24H19ClN2O, the terminal quinolinyl residues are close to perpendicular to each other [dihedral angle 83.72?(4)°]. The quinolinyl residues are connected by and inclined to the prop-2-en-1-one bridge, with the Car-Car-C-C (ar = aromatic) torsion angles being 71.01?(17) and 20.6?(2)°. The crystal structure features phen-yl-carbonyl C-H?O inter-actions and ?-? inter-actions between centrosymmetrically related quinolinyl residues [3.5341?(10) and 3.8719?(9)?Å], which together lead to a three-dimensional architecture.

| S-EPMC3793770 | 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

3-[(2-Chloro-6-methyl-quinolin-3-yl)meth-yl]quinazolin-4(3H)-one.

Project description:In the title mol-ecule, C(19)H(14)ClN(3)O, the quinoline and quinazoline ring systems form a dihedral angle of 80.75?(4)°. In the crystal, the mol-ecules are linked by pairs of C-H?N hydrogen bonds into centrosymmetric dimers, generating R(2) (2)(6) ring motifs. The structure is further stabilized by C-H?? inter-actions and ?-? stacking inter-actions [centroid-centroid distances = 3.7869?(8) and 3.8490?(8)?Å].

| S-EPMC3006817 | biostudies-literature

1-[(2-Chloro-8-methyl-quinolin-3-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 approximately planar [maximum deviation 0.021?(2)?Å] and forms a dihedral angle of 85.93?(6)° with the pyridone ring. Inter-molecular C-H?O hydrogen bonding, together with weak C-H?? and ?-? inter-actions [centroid-to-centroid distances 3.5533?(9) and 3.7793?(9)?Å], characterize the crystal structure.

| S-EPMC2979145 | biostudies-literature

N-[(2-Chloro-8-methyl-quinolin-3-yl)meth-yl]-4-meth-oxy-aniline.

Project description:In the title compound, C(18)H(17)ClN(2)O, the quinoline ring system is essentially planar; the r.m.s. deviation for the non-H atoms is 0.04?Å with a maximum deviation from the mean plane of 0.026?(4)?Å for the C atom bonded to the -CH(2)- group. The meth-oxy-substituted benzene ring forms a dihedral angle of 70.22?(4)° with this ring system. The crystal structure can be described as zigzag layers in which the quinoline ring systems are parallel to (011) and molecules are connected via inter-molecular N-H?N hydrogen bonds, forming chains along [100]. The crystal studied was an inversion twin with a 0.86?(5):0.14?(5) domain ratio.

| S-EPMC3009236 | 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