Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[1-(4-Amino-phen-yl)ethyl]pyrazine-2-carbohydrazide.

ABSTRACT: The title compound, C(13)H(13)N(5)O, crystallizes with two mol-ecules in the asymmetric unit. The crystal structure is stabilized by intra-molecular N-H?N and N-H?O hydrogen bonds. The dihedral angles between the pyrazine ring and the 4-aminolphenyl ring are 2.5?(1) and 6.5?(1)° in the two molecules.

SUBMITTER: Xing ZY

PROVIDER: S-EPMC2983521 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N'-[1-(4-Amino-phen-yl)ethyl]pyrazine-2-carbohydrazide.

Xing Zhi-Yong ZY Yu De-Cheng DC Li Lai-Jun LJ Liu Hai-Yan HY Zhang Jian-Fei JF

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

The title compound, C(13)H(13)N(5)O, crystallizes with two mol-ecules in the asymmetric unit. The crystal structure is stabilized by intra-molecular N-H⋯N and N-H⋯O hydrogen bonds. The dihedral angles between the pyrazine ring and the 4-aminolphenyl ring are 2.5 (1) and 6.5 (1)° in the two molecules. ...[more]

PMID: 21580315

Similar Datasets

N'-[(E)-1-(2-Hy-droxy-phen-yl)ethyl-idene]pyrazine-2-carbohydrazide.

Project description:The title compound, C13H12N4O2, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Mol-ecule B is planar to within 0.044?(3)?Å for all non-H atoms, while mol-ecule A is slightly twisted, with a dihedral angle of 6.29?(4)° between the mean planes of the pyrazine-2-carbohydrazide and 1-(2-hy-droxy-phen-yl)ethanone moieties (r.m.s. deviations = 0.0348 and 0.0428?Å, respectively). S(5) and S(6) ring motifs are formed in both mol-ecules due to the presence of intra-molecular O-H?N and N-H?N hydrogen bonds. In the crystal, mol-ecules A and B are linked by a C-H?O hydrogen bond. They stack along the a-axis direction, forming columns with ?-? inter-actions involving inversion-related pyrazine and benzene rings [centroid-centroid distances = 3.5489?(13)-3.8513?(16)?Å].

| S-EPMC3884444 | biostudies-literature

N'-[(E)-1-(2-Fluoro-phen-yl)ethyl-idene]pyridine-4-carbohydrazide.

Project description:The title compound, C14H12FN3O, adopts an E conformation with respect to the azomethine bond. The pyridyl and fluoro-benzene rings make dihedral angles of 38.58?(6) and 41.61?(5)° respectively with the central C(=O)N2CC unit, resulting in a non-planar mol-ecule. The inter-molecular inter-actions comprise two classical N-H?O and N-H?N hydrogen bonds and four non-classical C-H?O and C-H?F hydrogen bonds. These inter-actions are augmented by a weak ?-? inter-action between the benzene and pyridyl rings of neighbouring mol-ecules, with a centroid-centroid distance of 3.9226?(10)?Å. This leads to a three-dimensional supra-molecular assembly in the crystal system. The F atom is disordered over two sites in a 0.559?(3): 0.441?(3) ratio, through a 180° rotation of the fluoro-benzene ring.

| S-EPMC4011257 | biostudies-literature

N'-[(1E)-1-(2-Fluoro-phen-yl)ethyl-idene]pyridine-3-carbohydrazide.

Project description:The title compound, C14H12FN3O, adopts an E conformation with respect to the azomethine double bond whereas the N and methyl C atoms are in a Z conformation with respect to the same bond. The ketonic O and azomethine N atoms are cis to each other. The non-planar mol-ecule [the dihedral angle between the benzene rings is 7.44 (11)°] exists in an amido form with a C=O bond length of 1.221 (2) Å. In the crystal, a bifurcated N-H⋯(O,N) hydrogen bond is formed between the amide H atom and the keto O and imine N atoms of an adjacent mol-ecule, leading to the formation of chains propagating along the b-axis direction. Through a 180° rotation of the fluoro-phenyl ring, the F atom is disordered over two sites with an occupancy ratio of 0.632 (4):0.368 (4).

| S-EPMC3998283 | biostudies-literature

N'-[1-(2-Hy-droxy-phen-yl)ethyl-idene]thio-phene-2-carbohydrazide.

Project description:The title compound, C(13)H(12)N(2)O(2)S, was prepared by the reaction of 1-(2-hy-droxy-phen-yl)ethanone and thio-phene-2-carbohydrazide. The dihedral angle between the benzene and thio-phene rings is 10.07?(17)°. An intra-molecular O-H?N hydrogen bond may influence the mol-ecular conformation. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into chains along [010].

| S-EPMC3050207 | biostudies-literature

Ethyl 3-[(3,5-dimethyl-phen-yl)amino-carbon-yl]propanoate.

Project description:The non-H atoms in the title compound, C(14)H(19)NO(3), lie on a mirror plane. The amide O and ester carbonyl O atoms are trans to each other. Furthermore, the C=O and O-CH(2) bonds of the ester group are syn with respect to each other. In the crystal, mol-ecules are packed into centrosymmetric dimers through inter-molecular N-H?O hydrogen bonds.

| S-EPMC2977476 | biostudies-literature

N'-[1-(4-Chloro-phen-yl)ethyl-idene]-5-methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazole-4-carbohydrazide.

Project description:In the title compound, C(18)H(15)ClN(6)O(3), the 1,2,3-triazole ring forms dihedral angles of 15.64 (5) and 57.50 (5)° with the two benzene rings. The dihedral angle between the two benzene rings is 72.26 (5)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds into chains propagating along the b axis. A short O⋯C contact of 2.9972 (13) Å is observed.

| S-EPMC3393971 | biostudies-literature

Crystal structure of 5-di-ethyl-amino-2-({[4-(di-ethyl-amino)-phen-yl]imino}-meth-yl)phenol.

Project description:In the title compound, C21H29N3O, the dihedral angle between the planes of the aromatic rings is 8.1 (2)°. The ethyl groups at one terminal site of the compound are disordered over two sets of sites with occupancies of 0.775 (9) and 0.225 (9). The mol-ecule has an E conformation about the N=C bond. The mol-ecular structure features an intra-molecular O-H⋯N hydrogen bond, which closes an S(6) loop. In the crystal, weak C-H⋯π inter-actions leads to the formation of a three-dimensional network.

| S-EPMC4647405 | biostudies-literature

Bis[4-(2-hydroxy-ethyl-amino)phen-yl] sulfone.

Project description:The title compound, C(16)H(20)N(2)O(4)S, exhibits a V-shape structure with a dihedral angle of 77.5?(11)° formed by the two benzenel rings. The mol-ecular packing is stabilized by intra-molecular and inter-molecular hydrogen bonds as well as ?-? [3.738?(3)?Å] and C-H?? inter-actions.

| S-EPMC2915238 | biostudies-literature

2-[1-({2-[1-(2-Hy-droxy-5-{[meth-yl(phen-yl)amino]-meth-yl}phen-yl)ethyl-idene-amino]-eth-yl}imino)-eth-yl]-4-{[meth-yl(phen-yl)amino]-meth-yl}phenol.

Project description:Mol-ecules of the title compound, C(34)H(38)N(4)O(2), lie across crystallographic inversion centres. The crystal packing can be described by alternating zigzag chains along the c axis in which the molecules are linked by van der Waals interactions. There is an intra-molecular O-H⋯N hydrogen bond and the two benzene rings in the asymmetric unit make a dihedral angle of 79.81 (6)°.

| S-EPMC3344659 | biostudies-literature

1-{Phen-yl[1-(p-tol-yl)ethyl-amino]meth-yl}-2-naphthol.

Project description:The title compound, C(26)H(25)NO, was obtained via a one-pot synthesis from the reaction of 2-naphthol, 1-(p-tol-yl)ethyl-amine, p-toluene-sulfonic acid and benzaldehyde. There are three mol-ecules per asymmetric unit, all having similar conformations. There are intra-molecular O-H?N and C-H?O hydrogen bonds, with only van der Waals forces found between mol-ecules.

| S-EPMC2959420 | 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