Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

{5-Chloro-2-[(4-nitro-benzyl-idene)amino]-phen-yl}(phen-yl)methanone.

ABSTRACT: The mol-ecule of the title Schiff base compound, C(20)H(13)ClN(2)O(3), assumes an E configuration about the C=N bond. The aromatic rings of the nitro-benzene and chloro-benzene groups are twisted by 13.89?(13)° and form dihedral angles of 76.38?(13) and 84.64?(13)°, respectively, with the phenyl ring. In the crystal, mol-ecules are linked into chains parallel to the b axis by C-H?? inter-actions.

SUBMITTER: Aslam M

PROVIDER: S-EPMC3238879 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

{5-Chloro-2-[(4-nitro-benzyl-idene)amino]-phen-yl}(phen-yl)methanone.

Aslam M M Anis I I Afza N N Nelofar A A Yousuf S S

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

The mol-ecule of the title Schiff base compound, C(20)H(13)ClN(2)O(3), assumes an E configuration about the C=N bond. The aromatic rings of the nitro-benzene and chloro-benzene groups are twisted by 13.89 (13)° and form dihedral angles of 76.38 (13) and 84.64 (13)°, respectively, with the phenyl ring. In the crystal, mol-ecules are linked into chains parallel to the b axis by C-H⋯π inter-actions. ...[more]

PMID: 22199732

Similar Datasets

{5-Chloro-2-[(4-chloro-benzyl-idene)-amino]-phen-yl}(phen-yl)methanone.

Project description:In the title compound, C(20)H(13)Cl(2)NO, the C=N bond adopts an E conformation. The chloro-substituted rings form a dihedral angle of 11.99?(9)° with each other and form dihedral angles of 74.95?(9) and 83.26?(10)° with the unsubstituted ring. In the crystal, mol-ecules are connected into dimers by pairs of weak C-H?O hydrogen bonds and the dimers are arranged in columns parallel to the a axis.

| S-EPMC3295436 | biostudies-literature

{2-[(3-Bromo-benzyl-idene)amino]-5-chloro-phen-yl}(phen-yl)methanone.

Project description:In the title compound, C(20)H(13)BrClNO, the azomethine double bond [C=N = 1.246?(4)?Å] adopts an E conformation. The bromo- and chlorophenyl rings are inclined to one another by 13.70?(11)°, and form dihedral angles of 76.68?(10) and 74.24?(7)°, respectively, with the phenyl ring. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds to form double stranded chains propagating along the b-axis direction.

| S-EPMC3295437 | biostudies-literature

{5-Chloro-2-[(2-hy-droxy-benzyl-idene)amino]-phen-yl}(phen-yl)methanone.

Project description:The title Schiff base compound, C(20)H(14)ClNO(2), adopts an E configuration about the azomethine bond. The phenol and chloro-benzene rings form dihedral angles of 84.71?(9) and 80.70?(8)°, respectively, with the phenyl ring and are twisted by 15.32?(8)° with respect to one another. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming columns parallel to the a axis.

| S-EPMC3239075 | biostudies-literature

{2-[(4-Nitro-benzyl-idene)amino]-4,5,6,7-tetrahydro-1-benzo-thio-phen-3-yl}(phen-yl)methanone.

Project description:In the title compound, C22H18N2O3S, disorder is found in the benzoyl group (A and B), as well as for four C atoms of the cyclo-hexene ring. Two orientations were modeled in a 0.583?(5):0.417?(5) ratio. The cyclo-hexene ring is in a distorted chair conformation. The dihedral angles between the mean plane of the thio-phene ring and the 4-nitro-benzene and phenyl rings are 30.9?(8) and 64.8?(3) (A) and 62.4?(7)° (B). The mean planes of the 4-nitro-benzene and the phenyl rings are almost perpendicular to each other, with dihedral angles of 85.4?(1) (A) and 83.9?(8)° (B). An extensive array of weak C-H?O inter-actions consolidate mol-ecules into a three-dimensional architecture, forming chains along [001] and [010] and layers parallel to (011).

| S-EPMC4051066 | biostudies-literature

[2-(Benzyl-idene-amino)-4,5,6,7-tetra-hydro-benzo[b]thio-phen-3-yl](phen-yl)methanone.

Project description:In the title compound, C22H19NOS, the cyclo-hexene ring of the tetra-hydro-benzo-thio-phenyl ring system adopts a slightly distorted half-chair conformation and is twisted slightly [7.5?(8)° for the major disorder component] from the mean plane of the thio-phene ring. The dihedral angles between the mean planes of the thio-phene ring and the phenyl rings are 65.7?(3) and 8.3?(4)°. The phenyl rings are twisted with respect to each other by 73.8?(7)°. Disorder was modeled for four C atoms of the cyclo-hexene ring over two sets of sites with an occupancy ratio of 0.659?(2):0.341?(2). In the crystal, a single weak C-H?O inter-action links the mol-ecules into [001] chains.

| S-EPMC4011224 | biostudies-literature

1-{2-[(4-Chloro-benzyl-idene)amino]phen-yl}-3-phenyl-thio-urea.

Project description:The asymmetric unit of the title compound, C(20)H(16)ClN(3)S, contains two independent mol-ecules, A and B. In mol-ecule A, the dihedral angles between the central benzene ring and the pendant chloro-benzene and phenyl rings are 6.37?(15) and 64.79?(15)°, respectively. The corresponding values in mol-ecule B are 28.21?(14) and 82.11?(16)°, respectively. Each mol-ecule features an intra-molecular N-H?N hydrogen bond, which generates an S(5) ring. In the crystal, mol-ecules A and B form dimers, being linked by two N-H?S hydrogen bonds with graph-set notation R(2) (2)(8).

| S-EPMC3295530 | biostudies-literature

N'-Benzyl-idene-2-chloro-N-(4-chloro-phen-yl)acetohydrazide.

Project description:In the title compound, C15H12Cl2N2O, the atoms not making up the chloro-benzene ring are approximately coplanar (r.m.s. deviation = 0.073?Å). The dihedral angle between these 13 atoms and the chloro-benzene ring is 67.37?(10)°. The C=O and Csp (2)-Cl groups are almost eclipsed [Cl-C-C=O = -6.5?(3)°]. In the crystal, C(6) chains linked by C-H?O hydrogen bonds result in [100] chains.

| S-EPMC3914076 | biostudies-literature

(E)-1-(4-Nitro-phen-yl)-2-(4-{[(E)-2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzyl-idene)hydrazine dihydrate.

Project description:The 30 non-H atoms in title dihydrazine compound, C(20)H(16)N(6)O(4)·2H(2)O, are close to coplanar, the r.m.s. deviation for these atoms being 0.096?Å. The conformation about each of the C=N bonds is E, and the mol-ecule has non-crystallographic 2/m symmetry. The presence of O-H?O and N-H?O hydrogen bonding leads to a three-dimensional network in the crystal structure. A highly disordered solvent mol-ecule is present within a mol-ecular cavity defined by the organic and water mol-ecules. Its contribution to the electron density was removed from the observed data in the final cycles of refinement and the formula, molecular weight and density are given without taking into account the contribution of the solvent molecule.

| S-EPMC2980149 | biostudies-literature

Bis[2-(benzyl-idene-amino)-phen-yl] disulfide.

Project description:In the title mol-ecule, C(26)H(20)N(2)S(2), the two benzene rings connected by a disulfide chain form a dihedral angle of 84.9 (1)°, and the two benzene rings in the two benzyl-idene-amino-phenyl fragments form dihedral angles of 34.4 (1) and 32.8 (1)°. The crystal structure exhibits weak inter-molecular C-H⋯S hydrogen bonds, which link the mol-ecules into chains along [101].

| S-EPMC3239009 | biostudies-literature

1-(4-{[(E)-5-Chloro-2-hy-droxy-benzyl-idene]amino}-phen-yl)ethanone oxime.

Project description:The title compound, C(15)H(13)ClN(2)O(2), is an aromatic Schiff base having an aldoxime substituent; the two rings on the azomethine linkage are twisted by 44.4?(1)°. The phenolic H atom is intra-molecularly hydrogen bonded to the azomethine N atom, generating an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H?N hydrogen bonds occur. The crystal studied was a non-merohedral twin with a 35% minor component.

| S-EPMC2983254 | 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