Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Akhmad Aznan AM

PROVIDER: S-EPMC3238847 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Akhmad Aznan Aina Mardia AM Fairuz Zainal Abidin ZA Abdullah Zanariah Z Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

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 π-π inter-actions occurring between translationally related pyridine rings and between ...[more]

PMID: 22199700

Similar Datasets

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

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

Project description:Two independent mol-ecules comprise the asymmetric unit of the title compound, C(12)H(11)N(3)O(2). These differ in terms of the relative orientations of the benzene rings as seen in the respective dihedral angles formed between the pyridine and benzene rings [17.42 (16) and 34.64 (16)°]. Both mol-ecules are twisted about the amine-tolyl N-C bonds [respective torsion angles = 22.3 (5) and 35.9 (5)°] but only about the amine-pyridine N-C bond in the first independent mol-ecule [respective torsion angles = -11.7 (5) and 0.8 (5)°]. Intra-molecular N-H⋯O hydrogen bonds preclude the amine H atoms from forming significant inter-molecular inter-actions. The crystal packing features inter-molecular C-H⋯O and C-H⋯π and π-π [centroid-centroid distance: pyridine-benzene = 3.6442 (19) Å and pyridine-pyridine = 3.722 (2) Å] contacts.

| S-EPMC3008084 | 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

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

4-(4-Fluoro-phen-yl)-1-(4-nitro-phen-yl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine.

Project description:In the crystal structure of the title compound, C(20)H(14)FN(5)O(2), the pyrazole ring forms dihedral angles of 59.3?(2), 25.6?(2) and 46.0?(2)° with the directly attached 4-fluoro-phenyl, pyridine and nitro-phenyl rings, respectively. The crystal packing is characterized by inter-molecular N-H?N and N-H?O hydrogen bonds.

| S-EPMC3295427 | biostudies-literature

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-(4-Chloro-phen-yl)-5-(4,5-dihydro-1H-imidazol-2-yl)thieno[2,3-b]pyridin-4-amine.

Project description:In the title compound, C(16)H(13)ClN(4)S, the thienopyridine fused-ring system is nearly planar (r.m.s. deviation = 0.0333 Å) and forms a dihedral angle of 4.4 (3)° with the attached dihydro-imidazole ring (r.m.s. deviation = 0.0429 Å) allowing for the formation of an intra-molecular (exocyclic amine)N-H⋯N(imine) hydrogen bond. The benzene rings of the disordered (50:50) -N(H)-C(6)H(4)Cl residue form dihedral angles of 59.1 (3) and 50.59 (15)° with the fused ring system. In the crystal, (imidazole amine)N-H⋯N(pyridine) hydrogen bonds lead to a supra-molecular helical chain along the b axis. The chains assemble into layers (ab plane) with inter-digitation of the chloro-benzene rings which results in weak C-H⋯Cl inter-actions in the c-axis direction.

| S-EPMC3393946 | biostudies-literature

1-(3-Chloro-phen-yl)-3-(4-nitro-phen-yl)urea.

Project description:In the title compound, C(13)H(10)ClN(3)O(3), prepared by the reaction of 1-chloro-3-isocyanato-benzene with 4-nitro-benzenamine, the two substituent benzene rings are roughly coplanar [inter-ring dihedral angle = 8.70?(7)°]. In the crystal, mol-ecules make cyclic inter-molecular associations through two urea-nitro N-H?O hydrogen bonds, forming a chain structure [give chain direction] in which there are also weak inter-molecular C-H?Cl inter-actions. The urea O atom has only intra-molecular aromatic ring C-H?O associations.

| S-EPMC3009072 | 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

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

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