Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2-Amino-phen-yl)(p-tol-yl)methanone.

ABSTRACT: In the title compound, C(14)H(13)NO, the two six-membered rings make a dihedral angle of 52.8?(3)°. An intra-molecular N-H?O hydrogen bond involving an amine H atom and the adjacent carbonyl O atom occurs. In the crystal, N-H?O and C-H?N inter-molecular hydrogen bonds are observed, which may be effective in stabilizing the structure.

SUBMITTER: Zhang DL

PROVIDER: S-EPMC3011377 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2-Amino-phen-yl)(p-tol-yl)methanone.

Zhang Dun-Lin DL Liu Shan S Zhang Xiao-Li XL

Acta crystallographica. Section E, Structure reports online 20101130 Pt 12

In the title compound, C(14)H(13)NO, the two six-membered rings make a dihedral angle of 52.8 (3)°. An intra-molecular N-H⋯O hydrogen bond involving an amine H atom and the adjacent carbonyl O atom occurs. In the crystal, N-H⋯O and C-H⋯N inter-molecular hydrogen bonds are observed, which may be effective in stabilizing the structure. ...[more]

PMID: 21589628

Similar Datasets

(1-Adamant-yl)(3-amino-phen-yl)methanone.

Project description:In the crystal sructure of the title compound, C(17)H(21)NO, the mol-ecular packing is stabilized by inter-molecular N-H⋯O hydrogen bonds and additional weak N-H⋯π inter-actions, forming chains that propagate along the b axis. Conjugation of the carbonyl group and the benzene ring is rather attenuated due to a twisting of the carbonyl group from the plane of the benzene ring [torsion angle = 27.1 (2)°].

| S-EPMC3238865 | biostudies-literature

{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

1-{Phen-yl[1-(p-tol-yl)ethyl-amino]meth-yl}-2-naphthol.

Project description:The title compound, C(26)H(25)NO, was obtained via a one-pot synthesis from the reaction of 2-naphthol, 1-(p-tol-yl)ethyl-amine, p-toluene-sulfonic acid and benzaldehyde. There are three mol-ecules per asymmetric unit, all having similar conformations. There are intra-molecular O-H?N and C-H?O hydrogen bonds, with only van der Waals forces found between mol-ecules.

| S-EPMC2959420 | 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

(3-Benzoyl-phen-yl)(phen-yl)methanone.

Project description:Mol-ecules of the title compound, C(20)H(14)O(2), show approximate C(s) symmetry with the approximate mirror plane perpendicular to the central ring. The torsion angles about the acyclic bonds are 30.05 (15) and 30.77 (15)° in one half compared to -36.62 (14) and -18.60 (15)° in the other half of the mol-ecule. The central aromatic ring makes dihedral angles of 47.78 (4) and 51.68 (3)° with the two terminal rings.

| S-EPMC3200948 | 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

Crystal structure of [1-(3-chloro-phen-yl)-5-hy-droxy-3-methyl-1H-pyrazol-4-yl](p-tol-yl)methanone.

Project description:In the title compound C18H15ClN2O2, the dihedral angles between the central pyrazole ring and the pendant chloro-benzene and p-tolyl rings are 17.68?(10) and 51.26?(12)°, respectively. An intra-molecular O-H?O hydrogen bond is observed, which closes an S(6) ring.

| S-EPMC4420059 | biostudies-literature

[4-(All-yloxy)phen-yl](phen-yl)methanone.

Project description:The structure of the title compound, C16H14O2, features a dihedral angle of 54.4?(3)° between the aromatic rings. The allyl group is rotated by 37.4?(4)° relative to the adjacent benzene ring. The crystal packing is characterized by numerous C-H?O and C-H?? inter-actions. Most of these inter-actions occur in layers along (011). The layers are linked by C-H?? inter-actions along [100], forming a three-dimensional network.

| S-EPMC4120571 | 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

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