Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[4-(Benz-yloxy)benzyl-idene]malononitrile.

ABSTRACT: In the title mol-ecule, C(17)H(12)N(2)O, the dihedral angle between the two benzene rings is 84.98?(10)°. The dicyano-ethyl-ene group is coplanar with the benzene ring to which it is bonded. No classic hydrogen bonds were found in the crystal.

SUBMITTER: Gan HF

PROVIDER: S-EPMC3379286 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-[4-(Benz-yloxy)benzyl-idene]malononitrile.

Gan Hai-Feng HF Liu Xue-Wei XW Fang Zheng Z Guo Kai K

Acta crystallographica. Section E, Structure reports online 20120512 Pt 6

In the title mol-ecule, C(17)H(12)N(2)O, the dihedral angle between the two benzene rings is 84.98 (10)°. The dicyano-ethyl-ene group is coplanar with the benzene ring to which it is bonded. No classic hydrogen bonds were found in the crystal. ...[more]

PMID: 22719484

Similar Datasets

(E)-N'-(3-Benz-yloxy-4-methoxy-benzyl-idene)isonicotinohydrazide.

Project description:In the title compound, C(21)H(19)N(3)O(3), the pyridine ring forms a dihedral angle of 15.25?(6)° with the benzene ring. The dihedral angle between the two benzene rings is 83.66?(7)°. The meth-oxy group is slightly twisted away from the attached ring [C-O-C-C = 7.5?(2)°]. In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular N-H?N and C-H?O hydrogen bonds. The structure is further stabilized by C-H?? inter-actions.

| S-EPMC2970303 | biostudies-literature

2-Amino-N-(2-benz-yloxy-3-methoxy-benzyl-idene)aniline.

Project description:The title compound, C(21)H(20)N(2)O(2), a Schiff base ligand, contains two independent mol-ecules (A and B) in the asymmetric unit, with similar conformations. In mol-ecule A, the central benzene ring forms dihedral angles of 30.79?(13) and 23.56?(13)°, respectively, with the amino and benzyl benzene rings, while in mol-ecule B these angles are 32.30?(13) and 13.13?(12)°. The mol-ecular structure is stabilized by intra-molecular N-H?N and C-H?O hydrogen bonds. The crystal structure is stabilized by N-H?N hydrogen bonds and N-H?? and C-H?? inter-actions.

| S-EPMC2961660 | biostudies-literature

Crystal structure of 2-[2-(benz-yloxy)benzyl-idene]malono-nitrile.

Project description:In the title benzyl-idenemalono-nitrile derivative, C17H12N2O, the dihedral angles between the central benzene ring and the Y-shaped C=C(CN)2 group (r.m.s. deviation = 0.006 Å) and the terminal benzene ring are 12.72 (8) and 37.60 (11)°, respectively. The Car-O-Csp (3)-Car torsion angle is -174.52 (13)° and the major twist between the aromatic rings occurs about the Csp (3)-Car bond. Weak aromatic π-π stacking [centroid-centroid separation = 3.7784 (13) Å; slippage = 1.21 Å] between inversion-related pairs of the central benzene rings is observed in the crystal.

| S-EPMC4571396 | biostudies-literature

N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]benzohydrazide.

Project description:The title compound, C(21)H(18)N(2)O(3), exists in the E conformation with respect to the azomethane C=N double bond. The central benzene ring is almost coplanar with one of the substituent benzene rings [dihedral angle = 1.74 (5)°] and is approximately orthogonal to the other benzene ring of the mol-ecule [dihedral angle = 86.61 (7)°]. An intra-molecular O-H⋯N hydrogen bond occurs. The crystal packing is dominated by N-H⋯O hydrogen bonds, which lead to an infinite chain running parallel to [010].

| S-EPMC3435816 | biostudies-literature

2-(4-Nitro-benzyl-idene)malononitrile.

Project description:In the title compound, C(10)H(5)N(3)O(2), the benzyl-idene-malono-nitrile unit is nearly planar, with a maximum deviation of 0.129 (2) Å for a terminal N atom; the nitro group is approximately coplanar with the benzene ring [dihedral angle = 8.8 (3)°]. An intra-molecular C-H⋯N hydrogen bond stabilizes the mol-ecular conformation.

| S-EPMC3343936 | biostudies-literature

N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]-4-nitro-benzohydrazide monohydrate.

Project description:The title compound, C(21)H(17)N(3)O(5)·H(2)O, exists in the keto form with an E conformation with respect to the azomethine double bond. The twist angles between the aromatic rings are in the range 4.67?(10)-17.54?(10)°. A water mol-ecule of solvation is present in the lattice. A conventional intra-molecular O-H?N hydrogen bond increases the rigidity of the mol-ecule. Inter-molecular O-H?O, N-H?O and C-H?O hydrogen-bonding inter-actions establish a supra-molecular linkage among the mol-ecules in the crystal structure. There are also C-H?? inter-actions present.

| S-EPMC3344544 | biostudies-literature

(E)-2-(4-Benz-yloxy-2-hy-droxy-benzyl-idene)-N-phenyl-hydrazinecarbothio-amide.

Project description:The title compound, C(21)H(19)N(3)O(2)S, exists in the thione form. The configuration about the C=N bond is E. The hydrazinecarbothio-amide unit adopts an almost planar arrangement, with maximum deviations of 0.016?(3) and -0.016?(2)?Å for the two thio-urea N atoms. An intra-molecular O-H?N hydrogen bond occurs. Weak inter-molecular N-H?S, C-H?O and C-H?? inter-actions are observed in the crystal structure.

| S-EPMC3239056 | biostudies-literature

(E)-2-(4-Benz-yloxy-2-hy-droxy-benzyl-idene)-N-methyl-hydrazinecarbo-thio-amide.

Project description:The mol-ecule of the title compound, C16H17N3O2S, adopts an E conformation with respect to the azomethine C=N bond. The hydrazinecarbo-thio-amide fragment is close to planar, with a largest deviation from the least-squares plane of 0.079 (2) Å for the hydrazide N atom. This fragment forms a dihedral angle of 9.43 (9)° with the central benzene ring. The benzene rings are inclined to one another by 67.55 (12)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond involving the azomethine N atom. In the crystal, mol-ecules are linked through weak N-H⋯S and N-H⋯O hydrogen bonds into double ribbons along [010]. The crystal packing also features C-H⋯π inter-actions.

| S-EPMC3998281 | biostudies-literature

N'-[(E)-4-Benz-yloxy-2-hy-droxy-benzyl-idene]-4-nitro-benzohydrazide di-methyl-formamide monosolvate.

Project description:The title compound, C21H17N3O5·C3H7NO, exists in an E conformation with respect to the azomethine double bond of the hydrazide mol-ecule. This mol-ecule contains an intra-molecular O-H?N hydrogen bond, while an inter-molecular N-H?O hydrogen bond links the hydrazide to the formamide mol-ecule of solvation. Nonclassical C-H?O inter-molecular hydrogen bonds build up a supra-molecular architecture, together with two C-H?? inter-actions and a weak ?-? inter-action, with a centroid-centroid distance of 3.650?(13)?Å.

| S-EPMC3770421 | biostudies-literature

5,5'-Bis(benz-yloxy)-2,2'-[hydrazine-diylidenebis(methanylyl-idene)]diphenol.

Project description:The title azine mol-ecule, C28H24N2O4, lies about a center of inversion. The dihedral angle between the phenyl ring and the hy-droxy-substituted ring is 70.3?(5)°. The phenolic O-H group forms an intra-molecular hydrogen bond to the azine N atom.

| S-EPMC3885033 | 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