Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N'-[(E)-2-Meth-oxy-benzyl-idene]pyrazine-2-carbohydrazide.

ABSTRACT: In the title compound, C(13)H(12)N(4)O(2), all the non-H atoms lie on a crystallographic mirror plane and an intra-molecular N-H?N hydrogen bond generates an S(5) ring; the conformation about the imine bond [1.280?(3)?Å] is E. In the crystal, mol-ecules assemble into a two-dimensional array via C-H?O(carbon-yl) and C-H?N(pyrazine) contacts. Layers stack along the b-axis direction via weak ?-? inter-actions between pyrazine rings [ring centroid distance = 3.8028?(8)?Å].

SUBMITTER: de Souza MV

PROVIDER: S-EPMC3152029 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N'-[(E)-2-Meth-oxy-benzyl-idene]pyrazine-2-carbohydrazide.

de Souza Marcus V N MV da Silva Lima Camilo H CH Wardell James L JL Wardell Solange M S V SM Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

In the title compound, C(13)H(12)N(4)O(2), all the non-H atoms lie on a crystallographic mirror plane and an intra-molecular N-H⋯N hydrogen bond generates an S(5) ring; the conformation about the imine bond [1.280 (3) Å] is E. In the crystal, mol-ecules assemble into a two-dimensional array via C-H⋯O(carbon-yl) and C-H⋯N(pyrazine) contacts. Layers stack along the b-axis direction via weak π-π inter-actions between pyrazine rings [ring centroid distance = 3.8028 (8) Å]. ...[more]

PMID: 21837107

Similar Datasets

(E)-N'-(4-Meth-oxy-benzyl-idene)pyridine-3-carbohydrazide dihydrate.

Project description:In the title compound, C14H13N3O2·2H2O, the hydrazone mol-ecule adopts an E conformation with respect to the C=N bond. The dihedral angle between the benzene and pyridine rings is 8.55?(10)°. The methyl-idene-hydrazide [-C(=O)-N-N=C-] fragment is essentially planar, with a maximum deviation of 0.0375?(13)?Å. The mean planes of the benzene and pyridine rings make dihedral angles of 2.71?(14) and 11.25?(13)°, respectively, with mean plane of the methyl-idene-hydrazide fragment. In the crystal, the benzohydrazide and water mol-ecules are linked by N-H?O, O-H?O and O-H?N hydrogen bonds into a three-dimensional network.

| S-EPMC3770434 | biostudies-literature

N'-[(E)-2,6-Dichloro-benzyl-idene]pyrazine-2-carbohydrazide.

Project description:The title compound, C(12)H(8)Cl(2)N(4)O, is non-planar, the dihedral angle formed between the pendant pyrazine and benzene rings being 12.55?(11)°. An intra-molecular N-H?N hydrogen bond occurs. The amide groups self-associate via N-H?O hydrogen bonding, forming supra-molecular chains with base vector [101], which are stabilized by C-H?O contacts. C-H?N inter-actions are formed orthogonal to the chains.

| S-EPMC2980250 | biostudies-literature

N'-[(E)-3-Bromo-benzyl-idene]pyrazine-2-carbohydrazide.

Project description:In the title compound, C12H9BrN4O, the dihedral angle between the aromatic rings is 12.16?(12)°. An intra-molecular N-H?N hydrogen bond closes an S(5) ring. In the crystal, C-H?O hydrogen bonds link the mol-ecules into C(6) chains propagating in [010]. Very weak aromatic ?-? stacking [centroid-centroid separations = 3.9189?(15) and 3.9357?(15)?Å] is also observed.

| S-EPMC3884304 | biostudies-literature

2'-(3-Hydroxy-benzyl-idene)pyrazine-2-carbohydrazide monohydrate.

Project description:The title compound, C(12)H(10)N(4)O(2)·H(2)O, was synthesized by the reaction of pyrazine-2-carboxylic acid hydrazide and 3-hydroxy-benzaldehyde in ethanol. In the crystal structure, the organic mol-ecules are linked into extended chains by inter-molecular N(amide)-H?O(hydr-oxy) hydrogen bonds. Additional hydrogen bonds between the water mol-ecule and three adjacent organic mol-ecules, as well as face-to-face ?-? stacking inter-actions between the benzene and pyrazine rings [centroid-to-centroid separation = 3.669?(2)?Å and offset = 1.362?Å], link the mol-ecules into a three-dimensional framework.

| S-EPMC2915038 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-meth-oxy-benzyl-idene]pyridine-4-carbohydrazide.

Project description:In the title compound, C(14)H(13)N(3)O(3), the dihedral angle between the pyridine and benzene rings is 15.17?(18)°. The torsion angle of the -C=N-N-C- system between two aromatic rings is -167.1?(3)°. Intra-molecular O-H?N hydrogen bonding generates S(6) rings. In the crystal structure, neighbouring mol-ecules are linked together along the c axis by weak inter-molecular C-H?O and N-H?O hydrogen bonds, generating R(1) (2)(6) ring motifs.

| S-EPMC3009050 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-meth-oxy-benzyl-idene]pyridine-4-carbohydrazide monohydrate.

Project description:The title compound, C14H13N3O3·H2O, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, the lattice water molecule plays a major role in the supramolecular architecture by interconnecting adjacent molecules into a three-dimensional netwrok by means of O-H?O, O-H?N and N-H?O hydrogen-bonding inter-actions. The structure also features two non-classical C-H?O inter-actions.

| S-EPMC3685038 | biostudies-literature

4-Meth-oxy-N'-(4-meth-oxy-benzyl-idene)benzohydrazide.

Project description:The title compound, C(16)H(16)N(2)O(3), was prepared by the reaction of 4-meth-oxy-benzaldehyde with 4-meth-oxy-benzohydrazide in methanol. The dihedral angle between the two benzene rings is 3.1?(3)°. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into C(4) chains along the b axis.

| S-EPMC3089322 | biostudies-literature

N'-[(E)-4-Bromo-benzyl-idene]pyrazine-2-carbohydrazide.

Project description:In the title compound, C12H9BrN4O, the N'-methyl-idene-pyrazine-2-carbohydrazide and 4-bromobenzene groups are oriented at a dihedral angle of 10.57?(7)°. The hydrazide N-H group is involved in intra-molecular N-H?N inter-action, which generates an S(5) motif. A short C-H?O inter-action is formed between the methyl-idene H atom and the carbonyl O atom. It connects mol-ecules into chains extending along [100]. In addition, mol-ecules are arranged into stacks extending along [010] via ?-? inter-actions between pyrazine and benzene rings, with centroid-centroid distances of 3.837?(2) and 3.860?(2)?Å.

| S-EPMC3770406 | biostudies-other

Benzyl (E)-3-(4-meth-oxy-benzyl-idene)dithio-carbazate.

Project description:The title compound, C(16)H(16)N(2)OS(2), was obtained from a condensation reaction of benzyl dithio-carbazate and 4-meth-oxy-benzaldehyde. In the mol-ecule, the meth-oxy-phenyl ring and dithio-carbazate fragment are located on opposite sides of the C=N double bond, showing an E configuration. The dithio-carbazate fragment is approximately planar (r.m.s. deviation = 0.0052?Å); its mean plane is oriented at dihedral angles of 8.19?(15) and 85.70?(13)°, respectively, to the meth-oxy-phenyl and phenyl rings. Inter-molecular N-H?S hydrogen bonds and weak C-H?? inter-actions are observed in the crystal structure.

| S-EPMC3247410 | biostudies-literature

2-(1,3-Dioxoisoindolin-2-yl)acetic acid-N'-[(E)-2-meth-oxy-benzyl-idene]pyridine-4-carbohydrazide (1/1).

Project description:In the title 1:1 cocrystal, C(10)H(7)NO(4)·C(14)H(13)N(3)O(2), mol-ecules are linked by inter-molecular C-H?O, N-H?O and O-H?N hydrogen bonds, forming a three-dimensional network. In addition, ?-? stacking inter-actions [with centroid-centroid distances of 3.5723?(19) and 3.6158?(18)?Å] are observed.

| S-EPMC3414356 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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