Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(3-Chloro-anilino)pyridine.

ABSTRACT: In the title compound, C(11)H(9)ClN, the dihedral angle between the aromatic ring planes is 44.2?(1)° and the bridging C-N-C bond angle is 127.60?(19)°. The amino N-H grouping makes a hydrogen bond to the pyridyl N atom of an adjacent mol-ecule across a center of inversion, generating a hydrogen-bonded dimer.

SUBMITTER: Fairuz ZA

PROVIDER: S-EPMC2969746 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(3-Chloro-anilino)pyridine.

Fairuz Zainal Abidin ZA Aiyub Zaharah Z Abdullah Zanariah Z Ng Seik Weng SW

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

In the title compound, C(11)H(9)ClN, the dihedral angle between the aromatic ring planes is 44.2 (1)° and the bridging C-N-C bond angle is 127.60 (19)°. The amino N-H grouping makes a hydrogen bond to the pyridyl N atom of an adjacent mol-ecule across a center of inversion, generating a hydrogen-bonded dimer. ...[more]

PMID: 21583287

Similar Datasets

2-(4-Chloro-anilino)pyridine.

Project description:The two aromatic rings of each of the four independent molecules in the asymmetric unit of the title compound, C(11)H(9)ClN(2), are approximately coplanar; the four mol-ecules are arranged into two amino-pyridyl N-H⋯N hydrogen-bonded pairs. The structure has a 15% twin component related by a twofold rotation about [100].

| S-EPMC2960521 | biostudies-literature

Methyl 2-(3-chloro-2-methyl-anilino)pyridine-3-carboxyl-ate.

Project description:The title compound, C14H13ClN2O2, was obtained during an attempt to grow single crystals of 4-acetyl-phenyl 2-[(3-chloro-2-methyl-phen-yl)amino]-nicotinate in methanol, and was probably generated by alcoholysis. Two intra-molecular hydrogen bonds are formed, one between the N-H group and the carbonyl O atom of the ester and the other between the ortho sp 2CH group of the benzene ring and the pyridine N atom. Aromatic π-π stacking [shortest centroid-centroid separation = 3.598 (2) Å] is observed in the extended structure.

| S-EPMC9462340 | biostudies-literature

2-(4-Chloro-anilino)quinoxaline.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(14)H(10)ClN(3), with dihedral angles of 5.11 (10) and 13.61 (10)° between the aromatic ring systems. In the crystal structure, mol-ecules are linked by N-H⋯N hydrogen bonds, resulting in chains propagating in [010].

| S-EPMC2960096 | biostudies-literature

Ethyl 4-anilino-2,6-bis-(4-chloro-phen-yl)-1-phenyl-1,2,5,6-tetra-hydro-pyridine-3-carboxyl-ate.

Project description:The title compound, C32H28Cl2N2O2, was synthesized by a multicomponent reaction of 4-chloro-benzaldehyde, aniline and ethyl aceto-acetate. The central 1,2,5,6-tetra-hydro-pyridine ring exhibits a distorted boat conformation and the two chloro-phenyl rings attached to the central ring at positions 2 and 6 are oriented in opposite directions. The two O atoms of the eth-oxy-carbonyl group are involved in intra-molecular N-H⋯O and C-H⋯O hydrogen bonds. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules related by translation along the b axis into chains.

| S-EPMC3685090 | biostudies-literature

2-(4-Chloro-anilino)-1-(4-chloro-phen-yl)ethanone.

Project description:In the title compound, C(14)H(11)Cl(2)NO, the benzene rings form a dihedral angle of 3.14?(6)°. Overall, the mol-ecule is close to being planar (r.m.s. deviation for all the non-H atoms = 0.054?Å). No significant directional inter-molecular inter-actions are observed in the crystal structure.

| S-EPMC3239017 | biostudies-literature

2-Anilino-4,6-dimethyl-pyrimidinium chloro-acetate.

Project description:In the crystal structure of the title compound, C(12)H(14)N(3) (+)·C(2)H(2)ClO(2) (-), the chloro-acetate anion is linked to the N-(4,6-dimethyl-pyrimidin-2-yl)aniline cation by N-H?O hydrogen bonding. Within the cation, the pyrimidine ring is twisted with respect to the phenyl ring by a dihedral angle of 7.59?(4)°.

| S-EPMC2915362 | biostudies-literature

2-[(4-Chloro-anilino)meth-yl]phenol.

Project description:In the title compound, C(13)H(12)ClNO, the dihedral angle between the two benzene ring planes is 68.71?(8)°. In the crystal, mol-ecules are linked by pairs of O-H?N hydrogen bonds into inversion dimers, which are further linked by intermolecular N-H?O interactions into a chain running parallel to the a axis.

| S-EPMC3213566 | biostudies-literature

2-(4-Chloro-anilino)-1-phenyl-ethanone.

Project description:In the title compound, C(14)H(12)ClNO, the planes of the two aromatic rings form a dihedral angle of 4.16 (1)°. The mol-ecule is essentially planar with an r.m.s. deviation for all non-H atoms of 0.0372 Å.

| S-EPMC3052043 | biostudies-literature

2-Chloro-5-(chloro-meth-yl)pyridine.

Project description:The title compound, C(6)H(5)Cl(2)N, is almost planar, with an r.m.s. deviation of 0.0146 Å for all atoms except for the 5-choloromethyl Cl atom. The offset Cl atom lies above this plane with a Cl-C-C angle of 111.11 (17)°. In the crystal, mol-ecules are connected via inter-molecular C-H⋯N hydrogen bonds, forming dimers.

| S-EPMC3051559 | biostudies-literature

Ethyl 2-acetyl-3-(4-chloro-anilino)butanoate.

Project description:The title compound, C(14)H(18)ClNO(3), adopts an extended conformation, with all of the main chain torsion angles associated with the ester and amino groups trans. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds are observed.

| S-EPMC2970076 | 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