Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Chloro-pyridin-2-amine.

ABSTRACT: In the title compound, C(5)H(5)ClN(2), a by-product in the synthesis of ethyl 2-(3-chloro-pyridin-2-yl)-5-oxopyrazolidine-3-carboxyl-ate, the amine groups form inter-molecular hydrogen-bonding associations with pyridine N-atom acceptors, giving centrosymmetric cyclic dimers. Short inter-molecular Cl?Cl inter-actions [3.278?(3)?Å] also occur.

SUBMITTER: Hu ZN

PROVIDER: S-EPMC3089079 | biostudies-other | 2011 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

3-Chloro-pyridin-2-amine.

Hu Zhi-Nan ZN Yang Hui-Bin HB Luo Huan H Li Bin B

Acta crystallographica. Section E, Structure reports online 20110416 Pt 5

In the title compound, C(5)H(5)ClN(2), a by-product in the synthesis of ethyl 2-(3-chloro-pyridin-2-yl)-5-oxopyrazolidine-3-carboxyl-ate, the amine groups form inter-molecular hydrogen-bonding associations with pyridine N-atom acceptors, giving centrosymmetric cyclic dimers. Short inter-molecular Cl⋯Cl inter-actions [3.278 (3) Å] also occur. ...[more]

PMID: 21754447

Similar Datasets

2-Chloro-5-nitro-pyridin-4-amine.

Project description:The title mol-ecule, C(5)H(4)ClN(3)O(2), possesses mirror symmetry, with all of the atoms lying in the mirror plane. There is an intra-molecular N-H?O hydrogen bond involving the adjacent -NO(2) and -NH(2) groups. A short C-H?O inter-action is also observed. In the crystal, adjacent mol-ecules are linked via N-H?Cl and N-H?N hydrogen bonds, forming chains propagating along [100].

| S-EPMC3344641 | biostudies-literature

3-Chloro-5-(trifluoro-meth-yl)pyridin-2-amine.

Project description:In the title compound, C(6)H(4)ClF(3)N(2), an inter-mediate in the synthesis of the fungicide fluazinam, the F atoms of the trifluoro-methyl group are disordered over two sites in a 0.683 (14):0.317 (14) ratio. In the crystal structure, centrosymmetric dimers arise from pairs of N-H⋯N hydrogen bonds.

| S-EPMC2960342 | biostudies-literature

N-(3-Chloro-phen-yl)-3-nitro-pyridin-2-amine.

Project description:The dihedral angle between the benzene and pyridyl rings in the title compound, C(11)H(8)ClN(3)O(2), is 22.65?(10)°, indicating a twisted mol-ecule. The amine H and nitro O atoms form a donor-acceptor pair for an intra-molecular N-H?O hydrogen bond so that the nitro group is almost coplanar with the pyridine ring to which it is connected [O-N-C-C torsion angle = 7.4?(3)°]. The pyridine N and Cl atoms are approximately syn. The crystal packing features C-H?Cl inter-actions that lead to undulating supra-molecular chains along [101]. These are connected into sheets by ?-? inter-actions occurring between the benzene rings and between the pyridine rings of translationally related mol-ecules along the b axis [centroid-centroid distances = length of b axis = 3.7157?(2)?Å].

| S-EPMC3247465 | biostudies-literature

6-Chloro-3-nitro-N-(propan-2-yl)pyridin-2-amine.

Project description:There are two mol-ecules in the asymmetric unit mol-ecule of the title compound, C(8)H(10)ClN(3)O(2). Intra-molecular N-H?O hydrogen bonds stabilize the mol-ecular structure. There are no classical inter-molecular hydrogen bonds in the crystal structure.

| S-EPMC3120349 | biostudies-literature

N-(4-Chloro-phen-yl)-3-nitro-pyridin-2-amine.

Project description:In the title compound, C(11)H(8)ClN(3)O(2), the presence of intra-molecular N-H?O and C-H?N inter-actions help to establish an almost planar mol-ecule [dihedral angle between the pyridine and benzene rings = 9.89?(8)° and r.m.s. deviation for all 17 non-H atoms = 0.120?Å]. Supra-molecular tapes feature in the crystal packing whereby dimeric aggregates sustained by pairs of C-H?O inter-actions are connected by ?-? inter-actions occurring between translationally related pyridine rings and between translationally related benzene rings along the b axis [centroid-centroid distance = length of b axis = 3.8032?(4)?Å].

| S-EPMC3238847 | biostudies-other

N-(4-Chloro-phen-yl)-4-methyl-pyridin-2-amine.

Project description:In the title compound, C(12)H(11)ClN(2), the dihedral angle between the benzene and pyridyl rings is 48.03?(8)°. Twists are also evident in the mol-ecule, in particular about the N(a)-C(b) (a = amine and b = benzene) bond [C-N-C-C = -144.79?(18)°]. In the crystal, inversion dimers linked by pairs of N-H?N hydrogen bonds result in the formation of eight-membered {?NCNH}(2) synthons [or R(2) (2)(8) loops].

| S-EPMC3007248 | biostudies-other

N-(Pyridin-2-ylmeth-yl)pyridin-2-amine.

Project description:The title compound, C(11)H(11)N(3), crystallizes with two mol-ecules (A and B) in the asymmetric unit. The geometries of both mol-ecules are very similar, with the exception of the torsion angles of the inter-ring chains; the values for C-N-C-C are 67.4?(5) and -69.3?(5)° for mol-ecules A and B, respectively. The dihedral angles between the pyridyl ring planes are 84.0?(2) and 83.2?(2)° for mol-ecules A and B, respectively. In the crystal, weak inter-molecular N-H?N hydrogen bonds and C-H?? inter-actions contribute to the stabilization of the packing.

| S-EPMC3120475 | biostudies-literature

N-Benzyl-pyridin-2-amine.

Project description:In the crystal of the title compound, C(12)H(12)N(2), inter-molecular N-H?N hydrogen bonds form rings of graph-set motif R(2) (2)(8) and C-H?? inter-actions further consolidate the dimers. Neighbouring dimers are further connected into a three-dimensional network by C-H?? inter-actions. The benzyl and pyridyl rings form a dihedral angle of 67.2?(1)°

| S-EPMC3011452 | biostudies-literature

6-Methyl-pyridin-2-amine.

Project description:In the title mol-ecule, C6H8N2, the endocyclic angles are in the range 118.43?(9)-122.65?(10)°. The mol-ecular skeleton is planar (r.m.s. deviation = 0.007?Å). One of the two amino H atoms is involved in an N-H?N hydrogen bond, forming an inversion dimer, while the other amino H atom participates in N-H?? inter-actions between the dimers, forming layers parallel to (100).

| S-EPMC3589040 | biostudies-literature

6-Methyl-pyridin-3-amine.

Project description:In the mol-ecule of the title compound, C(6)H(8)N(2), the methyl C and amine N atoms are 0.021?(2) and 0.058?(2)?Å from the pyridine ring plane. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules.

| S-EPMC2968044 | 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