Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-2-Acetyl-pyrazine 4-nitro-phenyl-hydrazone.

ABSTRACT: In the title compound, C(12)H(11)N(5)O(2), the mol-ecule adopts an E configuration, with the benzene and pyrazine rings located on opposite sides of the N=C double bond. The face-to-face separations of 3.413 (14) and 3.430 (8) Å, respectively between parallel benzene rings and between pyrazine rings indicate the existence of π-π stacking between adjacent mol-ecules. The crystal structure also contains N-H⋯N and C-H⋯O hydrogen bonding.

SUBMITTER: Shan S

PROVIDER: S-EPMC2961878 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-2-Acetyl-pyrazine 4-nitro-phenyl-hydrazone.

Shan Shang S Tian Yu-Liang YL Wang Shan-Heng SH Wang Wen-Long WL Xu Ying-Li YL

Acta crystallographica. Section E, Structure reports online 20080613 Pt 7

In the title compound, C(12)H(11)N(5)O(2), the mol-ecule adopts an E configuration, with the benzene and pyrazine rings located on opposite sides of the N=C double bond. The face-to-face separations of 3.413 (14) and 3.430 (8) Å, respectively between parallel benzene rings and between pyrazine rings indicate the existence of π-π stacking between adjacent mol-ecules. The crystal structure also contains N-H⋯N and C-H⋯O hydrogen bonding. ...[more]

PMID: 21202899

Similar Datasets

2-Acetyl-3-methyl-pyrazine phenyl-sulfonyl-hydrazone.

Project description:In the title compound, C(13)H(14)N(4)O(2)S, the dihedral angle between the aromatic rings is 55.42 (14)°. In the crystal structure, an N-H⋯O hydrogen bond leads to chains of mol-ecules along [001].

| S-EPMC2961218 | biostudies-literature

Cyclo-hexa-none 2-nitro-phenyl-hydrazone.

Project description:In the title Schiff base compound, C(12)H(15)N(3)O(2), obtained from a condensation reaction of cyclo-hexa-none and 2-nitro-phenyl-hydrazine, the phenyl-hydrazone group is planar, the largest deviation from the mean plane being 0.0252?(12)?Å, and the nitro fragment is twisted slightly with respect to the mean plane, making a dihedral angle of 6.96?(17)°. The cyclo-heaxanone ring displays a chair conformation. An intra-molecular N-H?O hydrogen bond helps to stabilize the mol-ecular structure.

| S-EPMC2979490 | biostudies-literature

2-Hydr-oxy-5-nitro-benzaldehyde 2,4-dinitro-phenyl-hydrazone.

Project description:In the title compound, C(13)H(9)N(5)O(7), one of the nitro groups is twisted away from the attached benzene ring by 16.21 (8)°. The dihedral angle between the two benzene rings is 4.63 (1)°. The mol-ecular structure is stabilized by intra-molecular N-H⋯O and O-H⋯N hydrogen bonds which generate an S(6) ring motif. The mol-ecules pack as layers parallel to the ab plane; mol-ecules of adjacent layers are linked into chains along the [101] direction through N-H⋯O hydrogen bonds.

| S-EPMC2961021 | biostudies-literature

(E)-1-(3-Methoxy-phen-yl)ethanone 4-nitro-phenyl-hydrazone.

Project description:Crystals of the title compound, C(15)H(15)N(3)O(3), were obtained from a condensation reaction of 4-nitro-phenyl-hydrazine and 3-methoxy-acetophenone. In the crystal structure, the methoxy-phenyl ring is twisted slightly with respect to the nitro-phenyl-hydrazine plane, making a dihedral angle of 14.81 (8)°. The nitro and meth-oxy groups are each coplanar with the attached benzene rings. The nitro-phenyl and methoxy-phenyl groups are located on opposite sides of the C=N double bond, indicating an E configuration of the mol-ecule. Adjacent mol-ecules are linked together via N-H⋯O hydrogen bonding, forming chains along the [101] direction.

| S-EPMC2961743 | biostudies-literature

(1E)-1-(3-Bromo-phen-yl)ethanone 2,4-di-nitro-phenyl-hydrazone.

Project description:The title compound, C(14)H(11)BrN(4)O(4), contains 3-bromo-phenyl and 2,4-dinitro-phenyl groups on opposite sides of a hydrazone unit and crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the two ring systems in each mol-ecule are 2.0 (1) and 2.5 (4)°. Weak C-H⋯O hydrogen bonds and weak π-π stacking inter-actions [centroid-centroid distance = 3.7269 (14) Å] help to establish the packing. Intra-molecular N-H⋯O hydrogen bonds are also observed. On one of the rings, the Br atom is disordered over two equivalent positions of the phenyl ring [occupancy ratio 0.8734 (10):0.1266 (10).

| S-EPMC3008979 | biostudies-literature

2-Acetyl-pyrazine 4-methyl-thio-semi-carbazone.

Project description:The title compound, C(8)H(11)N(5)S, has been prepared by the reaction of 2-acetyl-pyrazine with 4-methyl-3-thio-semi-carbazide. It exists in the thione form and adopts the E configuration. The mol-ecules are connected by the inter-molecular N-H?N and N-H?S inter-actions.

| S-EPMC2915049 | biostudies-literature

2-Methoxy-benzaldehyde 2,4-dinitro-phenyl-hydrazone.

Project description:In the title compound, C(14)H(12)N(4)O(5), an intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. The dihedral angle between the two benzene rings is 3.91?(3)°, which shows the mol-ecule is almost planar. The para-nitro group is twisted from the benzene ring to which it is attached, making a dihedral angle of 8.50?(9)°. In the crystal structure, mol-ecules are linked together by inter-molecular C-H?O and inter-molecular three-centred O?O [2.8646?(12)-2.9213?(11)?Å] and O?N [3.0518?(11)?Å] inter-actions. The crystal structure is further stabilized by inter-molecular ?-? inter-actions [centroid-to-centroid distances 3.5708?(6)-3.9728?(12)?Å].

| S-EPMC2968177 | biostudies-literature

6-Bromo-pyridine-2-carbaldehyde phenyl-hydrazone.

Project description:The title compound, C(12)H(10)BrN(3), is essentially planar (r.m.s. deviation of all non-H atoms = 0.0174 Å), with a dihedral angle of 0.5 (2)° between the two aromatic rings. In the crystal, mol-ecules are linked by weak N-H⋯N inter-actions, forming a zigzag chain running parallel to [001].

| S-EPMC3393942 | biostudies-literature

4-(Diethyl-amino)salicylaldehyde phenyl-sulfonyl-hydrazone.

Project description:In the title compound, C(17)H(21)N(3)O(3)S, the dihedral angle between the aromatic ring planes is 84.2 (2)°. The pendant ethyl groups of the -N(C(2)H(5))(2) group are disordered over two sets of positions in a 0.84 (2):0.16 (2) ratio. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond, and inter-molecular N-H⋯O bonds lead to [010] chains in the crystal structure.

| S-EPMC2961088 | biostudies-literature

But-2-enal 2,4-dinitro-phenyl-hydrazone.

Project description:In the title compound, C(10)H(10)N(4)O(4), the but-2-enal chain is almost planar, the largest deviation from the mean plane being 0.013 (1) Å, and this plane makes a dihedral angle of 9.95 (24)° with the benzene ring,. Of the two nitro groups, one is twisted with respect to the benzene ring, making a dihedral angle of 5.7 (1)°, whereas the other is nearly in the plane of the benzene ring, with a twist angle of only 0.7 (1)°. This difference is related to the occurence of an intra-molecular N-H⋯O hydrogen bond with the O atom of the less twisted nitro group. The NH group is also involved in a weak inter-action with the same O atom of a symmetry-related mol-ecule, thus forming a pseudo inversion dimer.

| S-EPMC2959657 | 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