Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Chloro-8-hydroxy-quinolinium nitrate.

ABSTRACT: The 5-chloro-8-hydroxy-quinolinium cation in the the title ion pair, C(9)H(7)ClNO(+)·NO(3) (-), is approximately coplanar with the nitrate anion [dihedral angle = 16.1?(1)°]. Two ion pairs are hydrogen bonded (2 × O-H?O and 2 × N-H?O) about a center of inversion, generating an R(4) (4)(14) ring.

SUBMITTER: Ng SW

PROVIDER: S-EPMC2969641 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-Chloro-8-hydroxy-quinolinium nitrate.

Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090529 Pt 6

The 5-chloro-8-hydroxy-quinolinium cation in the the title ion pair, C(9)H(7)ClNO(+)·NO(3) (-), is approximately coplanar with the nitrate anion [dihedral angle = 16.1 (1)°]. Two ion pairs are hydrogen bonded (2 × O-H⋯O and 2 × N-H⋯O) about a center of inversion, generating an R(4) (4)(14) ring. ...[more]

PMID: 21583288

Similar Datasets

8-(Carboxy-methoxy)-quinolinium nitrate monohydrate.

Project description:In the title compound, C(11)H(10)NO(3) (+)·NO(3) (-)·H(2)O, the planar 8-carboxy-methoxy-quinolinium cation, the nitrate anion and the water mol-ecule are dimerized by hydrogen bonds into square building-block units, and then further assembled into two-dimensional gently undulating supra-molecular layers.

| S-EPMC2962242 | biostudies-literature

7-Chloro-4-[(E)-(3-chloro-benzyl-idene)hydrazinyl]-1?-quinolinium 3-chloro-benzoate.

Project description:The title salt, C(16)H(12)Cl(2)N(3) (+)·C(7)H(4)ClO(2) (-), features a non-planar cation, the dihedral angle between the quinolinium and benzene residues being 18.98?(10)°. The cation adopts an E conformation about the C-N bond, and the amine group is oriented towards the quinolinium residue. In the crystal, N-H?O hydrogen bonds link two cations with two anions, forming a 20-membered {?OCO?HNC(3)NH}(2) synthon. The dimeric units are connected into a linear supra-molecular chain along [100] via ?-? inter-actions [centroid-centroid distance = 3.5625?(13)?Å].

| S-EPMC2972174 | biostudies-literature

2-(2-Quinol-yl)quinolinium nitrate.

Project description:In the cation of the title compound, C(18)H(13)N(2) (+)·NO(3) (-), the two bicyclic ring systems form a dihedral angle of 3.84?(4)°. The nitrate anion is disordered over two orientations in a 0.9:0.1 ratio. In the crystal structure, the cations form stacks along the a axis, with short inter-molecular contacts [C?C = 3.330?(3) and 3.345?(4)?Å], and link to the anions via N-H?O hydrogen bonds.

| S-EPMC2961481 | biostudies-other

3-Acetyl-6-chloro-2-methyl-4-phenyl-quinolinium perchlorate.

Project description:In the title mol-ecular salt, C(18)H(15)ClNO(+)·ClO(4) (-), the quinolin-ium ring system is approximately planar, with a maximum deviation of 0.027?(1)?Å. The dihedral angle formed between the mean planes of the quinolinium ring system and the benzene ring is 78.46?(3)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the cations and anions into a three-dimensional network. The crystal structure is further consolidated by C-H?? inter-actions.

| S-EPMC2979191 | biostudies-literature

N-[2-(2-Chloro-phen-yl)-2-hydroxy-ethyl]propan-2-aminium nitrate.

Project description:In the title compound, C(11)H(17)ClNO(+)·NO(3) (-), the side chain of the ethyl-ammonium group is orientated approximately perpendicular to the benzene ring, the dihedral angle between the C/C/N plane of the ethyl-ammonium group and the benzene ring being 79.40?(18)°. In the crystal structure, inter-molecular O-H?O and N-H?O hydrogen bonds are observed between the cation and the anion.

| S-EPMC2979831 | biostudies-other

N'-(5-Chloro-2-hydroxy-benzyl-idene)-4-hydroxy-benzohydrazide.

Project description:The title Schiff base compound, C(14)H(11)ClN(2)O(3), was prepared by the reaction of 5-chloro-salicylaldehyde and 4-hydroxy-benzohydrazide. The mol-ecule exists in a trans configuration with respect to the methyl-idene group. The dihedral angle between the two benzene rings is 40.1 (2)°. An intra-molecular O-H⋯N hydrogen bond helps to stabilize the mol-ecular conformation. In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2977672 | biostudies-literature

2-Amino-5-chloro-pyridinium nitrate.

Project description:The title structure, C(5)H(6)ClN(2) (+)·NO(3) (-), is held together by extensive hydrogen bonding between the NO(3) (-) ions and 2-amino-5-chloro-pyridinium H atoms. The cation-anion N-H?O hydrogen bonds link the ions into a zigzag- chain which develops parallel to the b axis. The structure may be compared with that of the related 2-amino-5-cyano-pyridinium nitrate.

| S-EPMC2971019 | biostudies-literature

5-Chloro-2-methoxy-anilinium nitrate.

Project description:The title salt, C(7)H(9)ClNO(+)·NO(3) (-), exhibits extensive hydrogen bonding between the ammonium functional group and the nitrate anion. A two-dimensional network of bifurcated N-H⋯O hydrogen bonds generates corrugated layers in the bc plane. The organic mol-ecules are stacked in a parallel orientation as a result of π-π inter-actions, with an inter-ring distance of 3.837 Å.

| S-EPMC2961331 | biostudies-literature

4-Chloro-N'-(5-chloro-2-hydroxy-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title compound, C(14)H(10)Cl(2)N(2)O(2), displays a trans configuration with respect to the C=N double bond and has an intramolecular O-H?N hydrogen bond. The dihedral angle between the two benzene rings is 1.4?(2)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming chains running along the a direction.

| S-EPMC2960552 | biostudies-literature

4-[(2-Chloro-ethyl)amino]quinolinium chloride monohydrate.

Project description:In the title salt hydrate, C(11)H(12)ClN(2) (+)·Cl(-)·H(2)O, the quinolin-ium core is essentially planar (r.m.s. deviation = 0.027?Å) with the chloro-ethyl side chain being almost orthogonal to the core [C-N-C-C torsion angle = -80.0?(3)°]. In the crystal packing, the water mol-ecule bridges three species, forming donor inter-actions to two chloride anions and accepting a hydrogen bond from the quinolinium H atom. The chloride anion accepts a hydrogen bond from the amine N atom with the result that a two-dimensional supra-molecular array is formed in the ac plane. A C-H?Cl interaction also occurs.

| S-EPMC2971810 | biostudies-other

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