Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(4-Fluoro-phen-yl)(2-hy-droxy-5-methyl-phen-yl)methanone.

ABSTRACT: In the title compound, C14H11FO2, the dihedral angles beteen the central C3O ketone residue and the fluoro- and hy-droxy-substituted benzene rings are 50.44?(9) and 12.63?(10)°, respectively. The planes of the benzene rings subtend a dihedral angle of 58.88?(9)° and an intra-molecular O-H?O hydrogen bond closes an S(6) ring. No directional inter-actions beyond van der Waals packing contacts were identified in the crystal structure.

SUBMITTER: Dileep CS

PROVIDER: S-EPMC3998389 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(4-Fluoro-phen-yl)(2-hy-droxy-5-methyl-phen-yl)methanone.

Dileep C S CS Lakshmi Ranganatha V V Lokanath N K NK Khanum S A SA Sridhar M A MA

Acta crystallographica. Section E, Structure reports online 20140212 Pt 3

In the title compound, C14H11FO2, the dihedral angles beteen the central C3O ketone residue and the fluoro- and hy-droxy-substituted benzene rings are 50.44 (9) and 12.63 (10)°, respectively. The planes of the benzene rings subtend a dihedral angle of 58.88 (9)° and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring. No directional inter-actions beyond van der Waals packing contacts were identified in the crystal structure. ...[more]

PMID: 24764995

Similar Datasets

(4-Fluoro-phen-yl)(4-hy-droxy-3-methyl-phen-yl)methanone.

Project description:In the title compound, C14H11FO2, the two benzene rings are not coplanar, with a dihedral angle of 57.45?(12)° between their planes. In the crystal, mol-ecules are linked by an O-H?O hydrogen bond, forming a 21 helical chain along the b axis.

| S-EPMC3914103 | biostudies-literature

(4-Hy-droxy-3,5-di-methyl-phen-yl)(phen-yl)methanone.

Project description:In the mol-ecule of the title compound, C15H14O2, the dihedral angle between the benzene and phenyl rings is 61.27?(8)°. In the crystal, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into chains extending along the c-axis direction.

| S-EPMC3884333 | biostudies-literature

Bis(2-hy-droxy-phen-yl)methanone.

Project description:In the title compound, C(13)H(10)O(3), a benzophenone derivative, the least-squares planes defined by the C atoms of the 2-hy-droxy-phenyl rings inter-sect at an angle of 45.49?(3)°. The substituents on the aromatic systems are both orientated towards the central O atom. Intra- as well as inter-molecular O-H?O hydrogen bonds are observed, the latter giving rise to the formation of centrosymmetric dimers. The closest centroid-centroid distance between two ?-systems is 3.7934?(7)?Å.

| S-EPMC3212291 | biostudies-literature

(4-Hy-droxy-3-methyl-phen-yl)(phen-yl)methanone.

Project description:In the title compound, C14H12O2, the benzene rings make a dihedral angle of 58.84?(12)°. In the crystal, mol-ecules are linked into chains along the b-axis direction by O-H?O hydrogen bonds. These chains are further linked by C-H?O hydrogen bonds, forming layers parallel to the bc plane.

| S-EPMC3790415 | biostudies-other

Crystal structure of (4-hy-droxy-piperidin-1-yl)(4-methyl-phen-yl)methanone.

Project description:In the title compound, C13H17NO2, the dihedral angle between the planes of the piperidine and benzene rings is 51.7?(2)°. The bond-angle sum around the N atom [359.8?(3)°] indicates sp (2) hybridization of the atom. In the crystal, O-H?O hydrogen bonds link the mol-ecules, forming chains along [001].

| S-EPMC4645002 | biostudies-literature

(2-Hy-droxy-7-meth-oxy-naphthalen-1-yl)(4-methyl-phen-yl)methanone.

Project description:In the title compound, C(19)H(16)O(3), an intra-molecular O-H?O=C hydrogen bond is formed between the hy-droxy and carbonyl groups on the naphthalene ring system, resulting in an S(6) ring. The angles between the C=O bond vector and the least-squares planes of the naphthalene ring system and the benzene ring are 27.63?(6) and 47.99?(7)°, respectively. The dihedral angle between the latter planes is 61.39?(5)°. In the crystal, two mol-ecules are connected by pairs of inter-molecular O-H?O=C hydrogen bonds, forming centrosymmetric dimers with an R(2) (2)(4) graph-set motif. The mol-ecular packing features C-H?? interactions.

| S-EPMC3009359 | biostudies-literature

Crystal structure of (4-hy-droxy-piperidin-1-yl)[4-(tri-fluoro-meth-yl)phen-yl]methanone.

Project description:The title compound, C13H14NO2F3, crystallises with two mol-ecules, A and B, in the asymmetric unit, with similar conformations. The dihedral angles between the piperidine and phenyl rings are 83.76 (2) and 75.23 (2)° in mol-ecules A and B, respectively. The bond-angle sums around the N atoms [359.1 and 359.7° for mol-ecules A and B, respectively] indicate sp (2) hybridization for these atoms. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into separate [100] chains of A and B mol-ecules. The chains are cross-linked by C-H⋯O inter-actions, generating alternating (001) sheets of A and B mol-ecules.

| S-EPMC4647357 | 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-Hy-droxy-7-meth-oxy-naphthalen-1-yl)(phen-yl)methanone.

Project description:In the mol-ecule of the title compound, C(18)H(14)O(3), there is an intra-molecular O-H?O=C hydrogen bond between the carbonyl and hy-droxy groups on the naphthalene ring system. The angles between the C=O bond vector and the least-squares planes of the naphthalene ring system and the phenyl ring are 30.58?(6) and 42.82?(7)°, respectively, while the dihedral angle between the naphthalene ring system and the phenyl ring is 58.65?(5)°. In the crystal, mol-ecules are connected by pairs of inter-molecular O-H?O=C hydrogen bonds, forming centrosymmetric dimers.

| S-EPMC2983170 | biostudies-literature

(2Z,4E)-1-(5-Fluoro-2-hy-droxy-phen-yl)-5-(4-fluoro-phen-yl)-3-hy-droxy-penta-2,4-dien-1-one.

Project description:In the title mol-ecule, C17H12F2O3, the dihedral angle between the benzene rings is 8.6?(2)°. In the crystal, two pairs of O-H?O hydrogen bonds connect the mol-ecules into inversion dimers. In addition, weak C-H?F hydrogen bonds link the dimers into a two-dimensional network parallel to (10-4). The carbonyl O atom is an acceptor for two weak intra-molecular hydrogen bonds.

| S-EPMC3914111 | 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