Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

7-Meth-oxy-2-phenyl-quinoline-3-carbaldehyde.

ABSTRACT: In the title mol-ecule, C17H13NO2, the phenyl ring is inclined to the quinoline ring system by 43.53?(4)°. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds, forming double-stranded chains propagating along [011]. These chains are linked via ?-? inter-actions involving inversion-related quinoline rings; the shortest centroid-centroid distance is 3.6596?(17)?Å.

SUBMITTER: Hayour H

PROVIDER: S-EPMC3998345 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

7-Meth-oxy-2-phenyl-quinoline-3-carbaldehyde.

Hayour Hasna H Bouraiou Abdelmalek A Bouacida Sofiane S Benzerka Saida S Belfaitah Ali A

Acta crystallographica. Section E, Structure reports online 20140122 Pt 2

In the title mol-ecule, C17H13NO2, the phenyl ring is inclined to the quinoline ring system by 43.53 (4)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming double-stranded chains propagating along [011]. These chains are linked via π-π inter-actions involving inversion-related quinoline rings; the shortest centroid-centroid distance is 3.6596 (17) Å. ...[more]

PMID: 24764906

Similar Datasets

2-Meth-oxy-quinoline-3-carbaldehyde.

Project description:In the title compound, C(11)H(9)NO(2), the quinoline ring system is essentially planar (r.m.s. deviation = 0.005?Å) and the meth-oxy and aldehyde groups are almost coplanar with it [N-C-O-C = 6.24?(19) and O-C-C-C = 0.3?(2)°]. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds, forming centrosymmetric R(2) (2)(10) dimers. The dimers are linked via ?-? inter-actions involving the pyridine and benzene rings [centroid-centroid distance = 3.639?(1)?Å].

| S-EPMC2983248 | biostudies-literature

3-(4-Meth-oxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:Four independent mol-ecules comprise the asymmetric unit of the title compound, C(17)H(14)N(2)O(2). The central pyrazoline ring is flanked by an N-bound benzene ring and a C-bound meth-oxy-substituted benzene ring. The greatest difference between the independent mol-ecules is found in the relative orientations of the benzene rings with the range of dihedral angles being 23.59?(6)-42.55?(6)°. In the crystal, extensive C-H?O inter-actions link mol-ecules into layers parallel to (02[Formula: see text]) and these are linked by C-H?? contacts.

| S-EPMC3247369 | 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

8-[(3-Phenyl-1,2,4-oxa-diazol-5-yl)meth-oxy]quinoline monohydrate.

Project description:In the title compound, C18H13N3O2·H2O, the oxa-diazole ring forms dihedral angles 7.21?(10) and 21.25?(11)° with the quinoline and benzene rings, respectively. The crystal structure features O-H?N hydrogen bonds and is further consolidated by C-H?O hydrogen-bonding inter-actions involving the water molecule of hydration.

| S-EPMC3772468 | biostudies-literature

6-Meth-oxy-meth-oxy-7-trifluoro-methyl-1,3-benzodioxole-5-carbaldehyde.

Project description:The title compound, C(11)H(9)F(3)O(5), crystallizes with three mol-ecules in the asymmetric unit. One -CF(3) group is disordered by rotation, with the F atoms split over two sets of sites with occupancies which converged to 0.888?(6) and 0.112?(6). Weak ?-? inter-actions are observed between adjacent benzene rings [the shortest centroid-centroid distance is 3.8858?(4)?Å], resulting in the formation of a supra-molecular chain along [100].

| S-EPMC3393257 | biostudies-literature

2-(4,5-Dimeth-oxy-2-nitro-phen-yl)-4-meth-oxy-9-phenyl-sulfonyl-9H-carbazole-3-carbaldehyde.

Project description:In the title compound, C28H22N2O8S, the carbazole ring system is roughly planar, with a maximum deviation of 0.084 (3) Å for the C atom connected to the 4,5-dimeth-oxy-2-nitro-phenyl ring. The dihedral angle between the carbazole system and the dimeth-oxy-substituted nitro-phenyl ring is 57.05 (10)°. The aldehyde C atom deviates by 0.164 (5) Å from its attached carbazole ring system. The mol-ecular structure is stabilized by C-H⋯O inter-actions which generate two S(6) and one S(7) ring motif. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming R 3 (3)(15) ring motifs, which are further crosslinked by R 3 (2)(19) ring motifs, resulting in (002) layers. The crystal packing also features C-H⋯π inter-actions.

| S-EPMC3998565 | biostudies-literature

8-Meth-oxy-2H-chromene-3-carbaldehyde.

Project description:In the title mol-ecule, C11H10O3, the fused dihydro-pyran ring is in a half-chair conformation with the O atom and the methyl-ene C atom positioned 0.1318?(13) and 0.143?(2)?Å, respectively, on either side of the mean plane formed by the other four atoms. In the crystal, weak C-H?O hydrogen bonds link mol-ecules along [001].

| S-EPMC3589003 | biostudies-literature

2-(4-Chloro-2-nitro-phen-yl)-4-meth-oxy-9-phenyl-sulfonyl-9H-carbazole-3-carbaldehyde.

Project description:In the sterically hindered title compound, C26H17ClN2O6S, the carbazole ring has a maximum deviation from planarity of 0.067 (4) Å for the C atom connected to the aldehyde group. The carbazole moiety forms a dihedral angle of 72.8 (1)° with the nitro-substituted benzene ring. The O atom of the meth-oxy group deviates by 0.186 (1) Å from the adjacent carbazole moiety. The phenyl-sulfonyl group forms intra-molecular C-H⋯O bonds between sulfone O atoms and the carbazole moiety, resulting in two S(6) rings. In the crystal, the nitrated benzene rings are linked via C-H⋯O inter-actions forming infinite C(7) chains along [100]. The crystal packing is also characterized by C-H⋯π inter-actions, which result in inversion dimers.

| S-EPMC3998368 | biostudies-literature

Crystal structure of 2-chloro-3-(di-meth-oxy-meth-yl)-6-meth-oxy-quinoline.

Project description:The title compound, C13H14ClNO3, crystallizes with Z' = 2 in the space group Pca21, but a search for possible additional crystallographic symmetry found none. However, the crystal structure exhibits pseudosymmetry as the two independent mol-ecules are related by an approximate but non-crystallographic inversion located close to (0.38, 0.26, 1/2) in the selected asymmetric unit, and the structure exhibits partial inversion twinning. The approximate inversion relationship between the two mol-ecules in the selected asymmetric unit is clearly shown by comparison of the relevant torsion angle in the two mol-ecules; the corresponding torsion angles have similar, although not identical magnitudes but with opposite signs. The mean planes of the quinoline rings in the two independent mol-ecules are almost parallel, with a dihedral angle of only 0.16?(3)° between them, and the mutual orientation of these rings permits significant ?-? stacking inter-actions between them [centroid-centroid distances = 3.7579?(15) and 3.7923?(15)?Å]. In addition, the bimolecular aggregates which are related by translation along [010] are linked by a further ?-? stacking inter-action [centroid-centroid distance = 3.7898?(15)?Å], so forming a ?-stacked chain running parallel to [010]. However, there are no C-H?N hydrogen bonds in the structure nor, despite the number of independent aromatic rings, are there any C-H?? hydrogen bonds; hence there are no direction-specific inter-actions between adjacent ?-stacked chains.

| S-EPMC4420130 | biostudies-literature

6,7-Dimeth-oxy-2,4-di-phenyl-quinoline.

Project description:In the title structure of the title compound, C23H19NO2, two conformationally similar mol-ecules (A and B) comprise the asymmetric unit. The dihedral angle between phenyl rings bridged by the quinoline moiety are 76.25 (8)° in mol-ecule A and 70.39 (9)° in mol-ecule B. In the crystal, the independent mol-ecules are connected by C-H⋯O hydrogen bonds and the resulting dimeric aggregates are linked by π-π [inter-centroid distance = 3.7370 (8) Å] and C-H⋯π inter-actions, forming a three-dimensional architecture.

| S-EPMC3998322 | 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