Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of 1-[(6-chloro-pyridin-3-yl)sulfon-yl]-1,2,3,4-tetra-hydro-quinoline.

ABSTRACT: The tetra-hydro-pyridine ring of the quinoline system in the title compound, C14H13ClN2O2S, adopts a half-chair conformation with the bond-angle sum at the N atom being 350.0°. The dihedral angle between the least-squares planes of the two aromatic rings is 50.13?(11)°. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R 2 (2)(10) loops. Additional inter-molecular C-H?O hydrogen bonds generate C(7) chains along [100].

SUBMITTER: Jeyaseelan S

PROVIDER: S-EPMC4459366 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of 1-[(6-chloro-pyridin-3-yl)sulfon-yl]-1,2,3,4-tetra-hydro-quinoline.

Jeyaseelan S S Rajegowda H R HR Britto Dominic Rayan R R Raghavendra Kumar P P Palakshamurthy B S BS

Acta crystallographica. Section E, Crystallographic communications 20150523 Pt 6

The tetra-hydro-pyridine ring of the quinoline system in the title compound, C14H13ClN2O2S, adopts a half-chair conformation with the bond-angle sum at the N atom being 350.0°. The dihedral angle between the least-squares planes of the two aromatic rings is 50.13 (11)°. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R 2 (2)(10) loops. Additional inter-molecular C-H⋯O hydrogen bonds generate C(7) chains along [100]. ...[more]

PMID: 26090144

Similar Datasets

Syntheses and crystal structure of 4-[(pyridin-3-yl)diazen-yl]morpholine and 1-[(pyridin-3-yl)diazen-yl]-1,2,3,4-tetra-hydro-quinoline.

Project description:Two new heterocyclic 1,2,3-triazenes were synthesized by diazo-tation of 3-amino-pyridine following respectively by coupling with morpholine or 1,2,3,4-tetra-hydro-quinoline. 4-[(Pyridin-3-yl)diazen-yl]morpholine (I), C9H12N4O, has monoclinic P21/c symmetry at 100 K, while 1-[(pyridin-3-yl)diazen-yl]-1,2,3,4-tetra-hydro-quinoline (II), C14H14N4, has monoclinic P21/n symmetry at 100 K. These 1,2,3-triazene derivatives were synthesized by the organic medium method by coupling reactions of 3-amino-pyridine with morpholine and 1,2,3,4-tetra-hydro-quinoline, respectively, and characterized by 1H NMR, 13C NMR, IR, mass spectrometry, and single-crystal X-ray diffraction. The mol-ecule of compound I consists of pyridine and morpholine rings connected by an azo moiety (-N=N-). In the mol-ecule of II, the pyridine ring and the 1,2,3,4-tetra-hydro-quinoline unit are also connected by an azo moiety. The double- and single-bond distances in the triazene chain are comparable for the two compounds. In both crystal structures, the mol-ecules are connected by C-H⋯N inter-actions, forming infinite chains for I and layers parallel to the bc plane for II.

| S-EPMC9912458 | biostudies-literature

(4R)-4-(Biphenyl-4-yl)-7-chloro-1,2,3,4-tetra-hydro-quinoline.

Project description:The title compound, C(21)H(18)ClN, was synthesized by an enanti-oselective Brønsted acid-catalysed transfer hydrogenation reaction. The six-membered heterocycle adopts a half-chair conformation. It has the biphenyl residue in an axial position. The two rings of the biphenyl residue are almost coplanar [dihedral angle = 2.65?(9)°]. The crystal packing is stabilized by N-H?Cl hydrogen bonds, which connect the mol-ecules into chains running along the a axis.

| S-EPMC3201410 | biostudies-literature

Crystal structure of 1-methane-sulfonyl-1,2,3,4-tetra-hydro-quinoline.

Project description:In the title compound, C10H13NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 347.9°. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R 2 (2)(8) loops.

| S-EPMC4331909 | biostudies-literature

Crystal structure of 1-benzyl-sulfonyl-1,2,3,4-tetra-hydro-quinoline.

Project description:In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 354.6°. The dihedral angle between the planes of the aromatic rings is 74.15 (10)°. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, generating C(8) and C(4) chains propagating along [100] and [010], respectively, which together generate (001) sheets.

| S-EPMC4438803 | biostudies-literature

Crystal structure of 2-methyl-1,2,3,4-tetra-hydro-iso-quinoline trihydrate.

Project description:The crystal structure of the title compound, C10H13N·3H2O, a heterocyclic amine, was determined in the presence of water. The compound co-crystallizes with three water mol-ecules in the asymmetric unit, which leads to the formation of hydrogen bonding in the crystal.

| S-EPMC7057357 | biostudies-literature

Crystal structure of 1-tosyl-1,2,3,4-tetra-hydro-quinoline.

Project description:In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 350.2°. The dihedral angle between the planes of the aromatic rings is 47.74?(10)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds to generate [010] chains.

| S-EPMC4257240 | biostudies-other

Crystal structure of ethyl 6-(chloro-meth-yl)-4-(4-chloro-phen-yl)-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Project description:In the title compound, C14H14Cl2N2O3, the chloro-phenyl ring makes a dihedral angle of 87.08?(9)° with the tetra-hydro-pyrimidine ring. There is a short intra-molecular C-H?O contact present. In the crystal, mol-ecules are linked via pairs of N-H?O hydrogen bonds, forming inversion dimers with an R (2) 2(8) ring motif. The dimers are linked via a second pair of N-H?O hydrogen bonds, this time enclosing an R (4) 4(20) ring motif, forming ribbons along [100]. The ribbons are linked via C-H?O hydrogen bonds, forming sheets lying parallel to (001). The terminal ethyl group is disordered over two positions with an occupancy ratio of 0.654?(17):0.346?(17).

| S-EPMC4257316 | biostudies-literature

6-[(2-Chloro-pyridin-5-ylmeth-yl)(eth-yl)-azan-yl]-4-(2-fluoro-phen-yl)-1-methyl-5-nitro-1,2,3,4-tetra-hydro-pyridin-2-one.

Project description:In the title compound, C(20)H(20)ClFN(4)O(3), the tetra-hydro-pyridone ring adopts a skew boat conformation. The dihedral angle between the mean planes of the benzene and pyridine rings is 80.7?(3)°. In the crystal, weak C-H?O inter-actions are observed.

| S-EPMC3295520 | biostudies-literature

N-(Adamantan-1-yl)-1,2,3,4-tetra-hydro-iso-quinoline-2-carbo-thio-amide.

Project description:In the title compound, C20H26N2S, the N-containing six-membered ring adopts a boat conformation and the dihedral angle between the thio-carbamide group and the benzene ring is 49.67?(9)°. An intra-molecular C-H?S hydrogen bond generates an S(6) ring motif. The N-H group is sterically hindered and there are no significant inter-molecular inter-actions beyond van der Waals contacts.

| S-EPMC3885068 | biostudies-literature

4-Chloro-N-methyl-2-(1,2,3,4-tetra-hydro-isoquinolin-1-yl)aniline.

Project description:The racemic title compound, C(16)H(17)ClN(2), shows a tetra-hydro-isoquinoline skeleton with a 4-chloro-N-methyl-aniline group linked to the C atom at position 1. The dihedral angle between the benzene rings is 85.82?(4)°. An intra-molecular N-H?N hydrogen bond occurs. In the crystal, mol-ecules are linked through inter-molecular C-H?? inter-actions.

| S-EPMC3011792 | 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