Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Chloro-N-(pyrimidin-2-yl)aniline.

ABSTRACT: The two aromatic rings in the title compound, C(10)H(8)ClN(3), open the angle at the planar N atom to 128.00?(12)°. The amino N atom of one mol-ecule forms a hydrogen bond to the 1-N atom of an adjacent pyrimidyl ring, generating a hydrogen-bonded dimer.

SUBMITTER: Maizathul Akmam AB

PROVIDER: S-EPMC2968001 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Chloro-N-(pyrimidin-2-yl)aniline.

Maizathul Akmam A Bakar AB Abdullah Zanariah Z Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20081210 Pt 1

The two aromatic rings in the title compound, C(10)H(8)ClN(3), open the angle at the planar N atom to 128.00 (12)°. The amino N atom of one mol-ecule forms a hydrogen bond to the 1-N atom of an adjacent pyrimidyl ring, generating a hydrogen-bonded dimer. ...[more]

PMID: 21581732

Similar Datasets

N-[2-Chloro-6-(4-chloro-6-methoxy-pyrimidin-2-ylsulfan-yl)benz-yl]-3,4-dimethyl-aniline.

Project description:In the title mol-ecule, C(20)H(19)Cl(2)N(3)OS, the dihedral angle between the two benzene rings is 79.3?(7)°. The 4-chloro-6-methoxy-pyrimidine group is rotationally disordered over two sites by approximately 180°, the ratio of the refined occupancies being 0.6772?(15):0.3228?(15). Both disorder components of disorder are involved in intra-molecular N-H?N hydrogen bonds.

| S-EPMC2971454 | biostudies-literature

N-(Pyrimidin-2-yl)aniline.

Project description:There are two molecules in the asymmetric unit of the title compound, C(10)H(9)N(3), with inter-ring dihedral angles of 31.1 (1) and 35.3 (1)°. The bridging C-N-C bond angles are 128.2 (1) and 129.1 (1)°. In the crystal, the two independent mol-ecules are linked into a dimer by two N-H⋯N hydrogen bonds.

| S-EPMC2969043 | biostudies-literature

(2-Chloro-pyrimidin-4-yl)ferrocene.

Project description:In the title compound, [Fe(C5H5)(C9H6ClN2)], the two cyclo-penta-dienyl rings are almost parallel, subtending a dihedral angle of 3.01 (5)°. The dihedral angle between the substituted cyclo-penta-dienyl ring and the pyrimidinyl ring is 12.02 (1)°. The conformation of the two cyclopentadienyl rings in the ferrocenyl moiety is eclipsed.

| S-EPMC3998571 | biostudies-literature

4-Methyl-3-[4-(3-pyrid-yl)pyrimidin-2-yl-oxy]aniline.

Project description:In the title compound, C(16)H(14)N(4)O, there are inter-molecular N-H?N hydrogen bonds which may be effective in stabilizing the crystal. The title compound is an important medicament and is used in the synthesis of anti-tumour drugs.

| S-EPMC2969253 | biostudies-literature

4-Chloro-N-(pyrazin-2-yl)aniline.

Project description:In the title compound, C(10)H(8)ClN(3), the dihedral angle between the aromatic rings is 43.0?(1)° and the bridging C-N-C angle is 128.19?(16)°. The amino N atom of one mol-ecule forms a hydrogen bond to the 1-N atom of an adjacent pyrazinyl ring, generating an inversion dimer.

| S-EPMC2968035 | biostudies-literature

4-Chloro-N-(2-pyrid-yl)aniline.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(11)H(9)ClN(2), with dihedral angles of 41.84 (12) and 49.24 (12)° between the aromatic ring planes. The two mol-ecules form a dimer via a pair of N-H⋯N hydrogen bonds.

| S-EPMC2959926 | biostudies-literature

Methyl 4-[(5-chloro-pyrimidin-2-yl)carbamo-yl]benzoate.

Project description:Mol-ecules of the title compound, C(13)H(10)ClN(3)O(3), form centrosymmetric dimers via inter-molecular N-H?N hydrogen bonds generating an R(2) (2)(8) motif. The dimers are further connected through an O?Cl-C halogen bond [O?Cl = 3.233?(1)?Å and O?Cl-C = 167.33?(1)°] into a chain along [110]. The secondary amide group adopts a cis conformation. Weak C-H?N hydrogen bonds among the methyl benzoate and pyrimidyl rings are also observed in the crystal structure.

| S-EPMC3212268 | biostudies-literature

4-[(4-Chloro-phen-yl)diazen-yl]-3-meth-oxy-aniline.

Project description:The title compound, C(13)H(12)ClN(3)O, exhibits a trans geometry about the N=N double bond in the solid state. The dihedral angle between the rings is 22.20?(8)°. Inter-molecular N-H?O hydrogen bonds between the amine and meth-oxy groups lead to the formation of a chain-like polymer along the c axis with a C(6) graph set. There is also weak non-classical C-H?N hydrogen bonds involving an aromatic C-H group and a diazenyl N atom, which connect the chains into a two-dimensional framework.

| S-EPMC3152038 | biostudies-literature

N-[(2-Chloro-3-quinol-yl)meth-yl]-4-fluoro-aniline.

Project description:In the title compound, C(16)H(12)ClFN(2), the dihedral angle between the quinoline ring system and the flourophenyl ring is 86.70?(4)°. In the crystal, mol-ecules are linked into chains along the a axis by N-H?N hydrogen bonds. In addition, C-H?? inter-actions involving the two benzene rings are observed.

| S-EPMC2983417 | biostudies-literature

1-(2-Chloro-benzo-yl)-3-(pyrimidin-2-yl)thio-urea.

Project description:In the title compound, C12H9ClN4OS, the carbonyl group is at a cis position with respect to the thio-urea unit. The dihedral angle between the phenyl and pyrimidine ring is 16.49?(6)°. An intra-molecular N-H?N hydrogen bond stabilizes the mol-ec-ular conformation. In the crystal, N-H?N, C-H?O and C-H?S hydrogen bonds generate chains along the bc axis.

| S-EPMC3588338 | 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