Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-[(E)-Phenyl-imino-meth-yl]benzonitrile.

ABSTRACT: In the mol-ecule of the title compound, C(14)H(10)N(2), the two aromatic rings are oriented at a dihedral angle of 32.22 (6)°. In the crystal structure, inter-molecular C-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(10) dimers. A weak π-π inter-action between the cyanobenzene rings, with a centroid-centroid distance of 3.8447 (3) Å, further stabilizes the crystal structure. There is also a C-H⋯π inter-action between the aniline ring and a CH group of the cyanobenzene ring.

SUBMITTER: Kashmiri MA

PROVIDER: S-EPMC2961095 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

4-[(4-Amino-3-pyrid-yl)imino-meth-yl]benzonitrile.

Project description:The asymmetric unit of the potential mono-Schiff base ligand title compound, C(13)H(10)N(4), contains two crystallographically independent mol-ecules, A and B. In mol-ecule A, the two rings are twisted from each other by 13.90 (18)°. By contrast, the dihedral angle between the two rings in mol-ecule B is 0.67 (19)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯N inter-actions via R(4) (4)(32) motifs, forming two-dimensional arrays. The short distances between the centroids of the six-membered rings indicate the existence of π-π inter-actions [centroid-centroid distances = 3.6880 (17)-3.7466 (15) Å].

| S-EPMC2959807 | biostudies-literature

2-Methyl-6-[2-(trifluoro-meth-yl)phenyl-imino-meth-yl]phenol.

Project description:The title compound, C(15)H(12)F(3)NO, is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. The dihedral angle between the aromatic rings is 38.79?(5)°. The mol-ecular structure is stabilized by an intra-molecular O-H?N hydrogen bond, which generates an S(6) ring. In addition, there is an intra-molecular short C-H?F contact.

| S-EPMC2971260 | biostudies-literature

4-Meth-oxy-2-[(E)-(phenyl-imino)meth-yl]phenol.

Project description:In the mol-ecule of the title compound, C(14)H(13)NO(2), the two aromatic rings are oriented at a dihedral angle of 0.78?(20)°; with the exception of two methyl H atoms the mol-ecule is essentially planar. The intra-molecular O-H?N hydrogen bond results in the formation of a non-planar, six-membered ring, which adopts a flattened-boat conformation. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules to form parallel networks. There is a C-H?? contact between the methyl group and the benzene ring. A ?-? contact between the benzene and phenyl rings [centroid-centroid distance = 4.681?(5)?Å] is also observed.

| S-EPMC2960573 | biostudies-literature

6-Meth-oxy-2-[(E)-phenyl-imino-meth-yl]phenol.

Project description:The title compound, C(14)H(13)NO(2), was obtained by the condensation reaction of o-vanillin and aniline in ethanol. The mol-ecule adopts the phenol-imine tautomeric form and an E conformation with respect to the azomethine C=N bond. The dihedral angle between the aromatic rings is 30.57?(10)°. In the crystal, mol-ecules are linked by inter-molecular C-H?O hydrogen bonds into zigzag chains parallel to the b axis.

| S-EPMC3099786 | biostudies-literature

4-Bromo-2-[(phenyl-imino)-meth-yl]phenol.

Project description:The title compound, C13H10BrNO, is essentially planar (r.m.s. deviation = 0.026?Å) and the dihedral angle between the planes of the two aryl rings is 1.5?(3)°. An intra-molecular O-H?N hydrogen bond generates an S(6) ring.

| S-EPMC4158544 | biostudies-literature

(E)-2-[3-(Trifluoro-meth-yl)phenyl-imino-meth-yl]benzene-1,4-diol.

Project description:In the title compound, C(14)H(10)F(3)NO(2), the two benzene rings are oriented at a dihedral angle of 31.94 (14)°. An intra-molecular O-H⋯N hydrogen bond helps to stabilize the mol-ecular structure. In the crystal, inter-molecular O-H⋯O hydrogen bonding links the mol-ecules, forming chains running along the crystallographic a axis. The F atoms of the trifluoro-methyl group are disordered over two positions with refined site occupancies of 0.488 (5) and 0.512 (5).

| S-EPMC2971128 | biostudies-literature

N-[4-(Phenyl-imino-meth-yl)phen-yl]acetamide 0.67-hydrate.

Project description:The title compound, C(15)H(14)N(2)O·0.67H(2)O, was prepared by the reaction of 4-acetoamine-benzaldehyde and aniline. The asymmetric unit contains six organic mol-ecules and four water mol-ecules. The dihedral angles between the aromatic ring planes in each organic mol-ecule vary from 42.4?(2) to 53.8?(2)°. In the crystal, an extensive network of inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds link the mol-ecules into [010] chains.

| S-EPMC3009366 | biostudies-literature

1,3-Bis[(-)-(S)-(1-phenyl-eth-yl)imino-meth-yl]benzene.

Project description:The title compound, C(24)H(24)N(2), is an enanti-omerically pure bis-aldimine, which displays twofold crystallographic symmetry, with two C atoms of the central benzene ring lying on the symmetry axis. The imine group is slightly twisted from the benzene core, with a dihedral angle of 12.72 (16)° between the benzene ring and the C=N-C(*) plane. The terminal phenyl rings make an angle of 66.44 (4)° and are oriented in opposite directions with respect to the benzene ring. In the crystal, mol-ecules inter-act weakly through a C-H⋯π inter-action involving the phenyl rings, and form chains along the 2(1) screw-axis in the [100] direction.

| S-EPMC3151960 | biostudies-literature

4-Phenyl-diazenyl-2-[(R)-(1-phenyl-ethyl)imino-meth-yl]phenol.

Project description:The title chiral photochromic Schiff base compound, C(21)H(19)N(3)O, was synthesized from (R)-1-phenyl-ethyl-amine and the salicylaldehyde of an azobenzene derivative. The mol-ecule corresponds to the phenol-imine tautomer, the C=N and N-C bond distances being 1.279 (3) and 1.477 (3) Å, respectively. An intra-molecular O-H⋯N hydrogen bond occurs. The diazenyl group adopts a trans form with an N=N distance of 1.243 (3) Å.

| S-EPMC2983984 | biostudies-literature

2-{(E)-[4-(Di-phenyl-amino)-phen-yl]imino-meth-yl}phenol.

Project description:The asymmetric unit of the title Schiff base molecule, C25H20N2O, contains two independent mol-ecules. In each mol-ecule, the C=N bond is in an E conformation. The most significant difference between the two mol-ecules is seen for the dihedral angles between the meth-oxy-substituted benzene ring and the two phenyl rings, which are 85.5 (1) and 82.3 (1)° in the first mol-ecule, and 49.0 (1) and 40.4 (1)° in the second. This conformational difference is reflected in the central C=N-C C torsion angle, which is 28.7 (2)° in the first mol-ecule and -29.8 (3)° in the other. In each mol-ecule, there is an intra-molecular O-H⋯N hydrogen bond.

| S-EPMC3998446 | 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