Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Bis[(E)-4-cyano-benzyl-idene]urea.

ABSTRACT: The mol-ecule of the title compound, C(17)H(10)N(4)O, has crystallographically imposed C(2) symmetry. The urea group and the benzene ring are nearly coplanar, the dihedral angle between them being 4.15?(7)°. The crystal packing is stabilized by aromatic ?-? stacking inter-actions, with a centroid-to-centroid separation of 3.833?(4)?Å.

SUBMITTER: Wu DH

PROVIDER: S-EPMC2968355 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-Bis[(E)-4-cyano-benzyl-idene]urea.

Wu De-Hong DH Hu Ling L

Acta crystallographica. Section E, Structure reports online 20090123 Pt 2

The mol-ecule of the title compound, C(17)H(10)N(4)O, has crystallographically imposed C(2) symmetry. The urea group and the benzene ring are nearly coplanar, the dihedral angle between them being 4.15 (7)°. The crystal packing is stabilized by aromatic π-π stacking inter-actions, with a centroid-to-centroid separation of 3.833 (4) Å. ...[more]

PMID: 21581969

Similar Datasets

Bis[N'-(3-cyano-benzyl-idene)isonicotino-hydrazide]silver(I) trifluoro-acetate.

Project description:In the title compound, [Ag(C(14)H(10)N(4)O)(2)]CF(3)CO(2), the Ag(I) ion is coordinated by two N atoms of the pyridine rings of two N'-(3-cyano-benzyl-idene)isonicotinohydrazide ligands in a nearly linear geometry. In the crystal structure, a combination of close contacts formed via Ag?N inter-actions [Ag?N = 3.098?(2) and 3.261?(2)?Å] from symmetry-related mol-ecules and inter-molecular N-H?O hydrogen bonds between CF(3)CO(2) (-) anions and the hydrazone groups of two ligands give rise to chains. Furthermore, there are Ag?O inter-actions with a separation of 2.765?(2)?Å between chains. The F atoms of the CF(3)CO(2) (-) anion are disordered over two sites with refined occupancies of 0.593?(5) and 0.407?(5).

| S-EPMC2970130 | biostudies-literature

catena-Poly[[[[N'-(4-cyano-benzyl-idene)nicotinohydrazide]silver(I)]-?-[N'-4-cyano-benzyl-idene)nicotinohydrazide]] hexa-fluoridoarsenate].

Project description:In the title compound, {[Ag(C(14)H(10)N(4)O)(2)]AsF(6)}(n), the Ag(I) ion is coordinated by two N atoms from two different pyridyl rings and one N atom from one carbonitrile group of three different N'-(4-cyano-benzyl-idene)nicotinohydrazide ligands in a distorted T-shaped geometry. The Ag-N(carbonitrile) bond distance is significant longer than those of Ag-N(pyrid-yl). The bond angles around the Ag(I) atom are also not in line with those in an ideal T-shaped geometry. One type of ligand acts as the bridge that connects Ag(I) atoms into chains along [01]. These chains are linked to each other via N-H?O hydrogen bonds and Ag?O inter-actions with an Ag?O separation of 2.869?(2)?Å. In addition, the [AsF(6)](-) counter-anions are linked to the hydrazone groups through N-H?F hydrogen bonds. Four of the F atoms of the [AsF(6)](-) anion are disordered over two sets of sites with occupancies of 0.732?(9) and 0.268?(9).

| S-EPMC2977146 | biostudies-literature

Bis[N'-(3-cyano-benzyl-idene)isonicotino-hydrazide-?N]silver(I) trifluoro-methane-sulfonate.

Project description:In the title compound, [Ag(C(14)H(10)N(4)O)(2)]CF(3)SO(3), two N atoms from two independent pyridyl rings of two N'-3-cyano-benzyl-ideneisonicotinohydrazide ligands coordinate to the unique Ag(I) ion, forming a nearly linear coordination geometry. Adjacent silver complexes are primarily linked together by Ag?N inter-actions, with Ag?N separations of 2.877?(2) and 3.314?(2)?Å. On the other hand, one CF(3)SO(3) (-) anion inter-acts with hydrazone groups of two neighbouring ligands via N-H?O hydrogen bonds. These weak inter-molecular inter-actions contribute to the formation of supra-molecular chains. In addition, there are Ag?O inter-actions [2.787?(2)?Å] between Ag and O atoms from adjacent chains.

| S-EPMC2971296 | biostudies-literature

catena-Poly[[[N'-(4-cyano-benzyl-idene)nicotinohydrazide)silver(I)]-μ-N'-(4-cyano-benzyl-idene)nicotinohydrazide] hexa-fluorido-phosphate].

Project description:In the title polymer, {[Ag(C(14)H(10)N(4)O)(2)]PF(6)}(n), each Ag(I) ion is coordinated by two N atoms from two pyridyl rings of independent N'-(4-cyano-benzyl-idene)nicotinohydrazide ligands, and one N atom from one carbonitrile group of a symmetry-related ligand in a distorted T-shaped geometry. The ligands exhibit two modes of coordination. One acts as a bridge connecting Ag atoms to form one-dimensional chains along [01]. The other acts as a terminal monodentate ligand, coordinating to Ag through its pyridyl N atom. Two neighbouring anti-parallel chains in the crystal are connected through N-H⋯O hydrogen bonds. Other adjacent chains are packed via Ag⋯O inter-actions, with Ag⋯O separations of 2.876 (2) Å. In addition, PF(6) (-) counter-anions inter-act with the hydrazone groups through N-H⋯F hydrogen bonds. The PF(6) (-) anion is disordered over two sites, with occupancies of 0.773 (8) and 0.227 (8).

| S-EPMC2959965 | biostudies-literature

Poly[[{?(3)-1,2-bis-[(3-cyano-benzyl-idene)-hydrazono]-1,2-diphenyl-ethane}silver(I)] hexa-fluoridoantimonate].

Project description:In the title compound, {[Ag(C(30)H(20)N(6))][SbF(6)]}(n), the Ag(+) cation has a three-coordinate environment completed by three N atoms of the 1,2-bis-[(3-cyano-benzyl-idene)hydrazono]-1,2-diphenyl-ethane ligand. The Ag(+) cation coordination geometry is best described as distorted T-shaped. The crystal structure forms a three-dimensional structural polymer.

| S-EPMC2960300 | biostudies-literature

Poly[[{?(4)-1,2-bis-[(3-cyano-benzyl-idene)hydrazono]-1,2-diphenyl-ethane}bis-(trifluoro-methane-sulfonato)disilver(I)] benzene solvate].

Project description:In the title complex, {[Ag(2)(CF(3)O(3)S)(2)(C(30)H(20)N(6))]·C(6)H(6)}(n), the two independent Ag(I) ions are each coordinated by two N atoms and one O atom in a 'T-shaped' geometry. In the crystal structure, 1,2-bis-[(3-cyano-benzyl-idene)hydrazono]-1,2-diphenyl-ethane ligands act as bridging ligands and each coordinates to four Ag(I) ions, resulting in a one-dimensional chain structure. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2961533 | biostudies-literature

N'-(4-Cyano-benzyl-idene)thio-phene-2-carbohydrazide.

Project description:The title compound, C(13)H(9)N(3)OS, was prepared by the reaction of thio-phene-2-carbohydrazide and 4-formyl-benzonitrile. The dihedral angle between the benzene and thio-phene rings is 11.9?(1)°. In the crystal structure, mol-ecules are linked into centrosymmetric dimers by pairs of N-H?O hydrogen bonds.

| S-EPMC2979571 | biostudies-literature

A one-dimensional Ag coordination polymer: catena-poly[[[[N'-(4-cyano-benzyl-idene)nicotinohydrazide]silver(I)]-?-N'-(4-cyano-benzyl-idene)nicotino-hydrazide] trifluoro-methane-sulfonate].

Project description:In the title compound, {[Ag(C(14)H(10)N(4)O)(2)]CF(3)SO(3)}(n), the unique Ag(I) ion is coordinated by two N atoms from two pyridine rings of two independent N'-(4-cyano-benzyl-idene)nicotinohydrazide ligands and one N atom of a carbonitrile group of a symmetry-related N'-(4-cyano-benzyl-idene)nicotino-hydrazide ligand, forming a distorted T-shaped coordination environment. One of the independent ligands acts as a bridge connecting Ag(I) ions, forming chains along the a axis. In the crystal structure, two neighbouring anti-parallel chains are connected through N-H?O hydrogen bonds. In addition, there are relatively short Ag?O contacts of 2.723?(3)?Å, which connect the chains into a three-dimensional structure.

| S-EPMC2959788 | biostudies-literature

1,5-Bis(2-chloro-benzyl-idene)carbonohydrazide.

Project description:In the title mol-ecule, C(15)H(12)Cl(2)N(4)O, the two benzene rings are inclined at a dihedral angle of 14.5?(2)°. In the crystal, inter-molecular N-H?O hydrogen bonds link mol-ecules into chains propagated in [001].

| S-EPMC2977268 | biostudies-literature

1,2-Bis(2-chloro-benzyl-idene)hydrazine.

Project description:The title Schiff base compound, C(14)H(10)Cl(2)N(2), crystallizes with one half-mol-ecule in the asymmetric unit. The mid-point of the N-N bond [1.418 (3) Å] lies on an inversion centre. The mol-ecular skeleton is approximately planar, the largest deviation from the mean plane being 0.143 (4) Å for the N-bonded C atom. The crystal packing exhibits no classical inter-molecular hydrogen bonds.

| S-EPMC2914996 | 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