Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Qing XY

PROVIDER: S-EPMC3120349 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Qing Xiao-Yu XY Huang Yun-Chuang YC Yang Ling-Ling LL Xie Yong-Mei YM

Acta crystallographica. Section E, Structure reports online 20110520 Pt 6

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. ...[more]

PMID: 21754849

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

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

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

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-(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

1-Chloro-1-[(4-nitro-phen-yl)hydrazinyl-idene]propan-2-one.

Project description:The non-H atoms of the title compound, C(9)H(8)ClN(3)O(3), lie approximately on a plane (r.m.s. deviation = 0.111?Å), and the C=N double bond has a Z configuration. In the crystal, adjacent mol-ecules are linked by an N-H?O(carbon-yl) hydrogen bond, forming a chain running along [101].

| S-EPMC3212345 | biostudies-literature

(Z)-1-Chloro-1-[2-(2-nitro-phen-yl)hydrazinyl-idene]propan-2-one.

Project description:The title mol-ecule, C9H8ClN3O3, lies on a mirror plane. Intra-molecular N-H?O and N-H?Cl hydrogen bonds occur. One of the nitro O atoms is disordered (site occupancy ratio = 0.40:0.10).

| S-EPMC3588268 | biostudies-literature

2,3-Dibromo-3-(4-chloro-phen-yl)-1-(4-nitro-thio-phen-2-yl)propan-1-one.

Project description:The title compound, C(13)H(8)Br(2)ClNO(3)S, exhibits whole-mol-ecule disorder over two orientations in a 0.805 (6):0.195 (6) ratio. The dihedral angles between the thio-phene ring [maximum deviations = 0.017 (4) and 0.033 (9) Å for the major and minor components, respectively] and the chloro-substituted phenyl ring are 32.1 (5) (major component) and 26.3 (18)° (minor component). In the crystal, C-H⋯Cl and C-H⋯O hydrogen bonds link the mol-ecules into sheets lying parallel to the bc plane. Aromatic π-π stacking inter-actions [centroid-centroid distance = 3.550 (7) Å] are also observed.

| S-EPMC3435703 | biostudies-literature

Ethyl 2-{3-[(6-chloro-pyridin-3-yl)meth-yl]-2-(nitro-imino)-imidazolidin-1-yl}acetate.

Project description:In the title compound, C(13)H(16)ClN(5)O(4), the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds are present. In addition, there are weak π-π stacking inter-actions between symmetry-related pyridine rings with a centroid-centroid distance of 3.807 (1) Å.

| S-EPMC3343957 | 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

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