Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(4-Methoxy-phen-yl)isochroman-1-one.

ABSTRACT: In the mol-ecule of the title compound, C(16)H(14)O(3), the aromatic rings are oriented at a dihedral angle of 72.02?(6)°. The heterocyclic ring adopts a twisted conformation. In the crystal structure, there are C-H?? contacts between the heterocyclic and phenyl rings, and between the methyl group and methoxy-phenyl ring.

SUBMITTER: Hussain MT

PROVIDER: S-EPMC2959622 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(4-Methoxy-phen-yl)isochroman-1-one.

Hussain Muhammad Tahir MT Tahir M Nawaz MN Adnan Ahmad A Hanif Ch Asif A Rama Nasim Hassan NH

Acta crystallographica. Section E, Structure reports online 20081015 Pt 11

In the mol-ecule of the title compound, C(16)H(14)O(3), the aromatic rings are oriented at a dihedral angle of 72.02 (6)°. The heterocyclic ring adopts a twisted conformation. In the crystal structure, there are C-H⋯π contacts between the heterocyclic and phenyl rings, and between the methyl group and methoxy-phenyl ring. ...[more]

PMID: 21580975

Similar Datasets

4-(3-Methoxy-phen-yl)-3-[2-(4-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

Project description:The asymmetric unit of the title compound, C(18)H(19)N(3)O(3), contains two crystallographically independent but similar mol-ecules. The triazole ring is oriented with respect to the benzene rings to form dihedral angles of 57.96?(6) and 7.01?(6)° in one mol-ecule, and 64.37?(5) and 10.73?(5)° in the other. The two independent mol-ecules are linked into a dimer by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2968207 | biostudies-literature

4-(4-Methoxy-phen-yl)-3-[2-(2-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

Project description:The title compound, C(18)H(19)N(3)O(3), is a biologically active triazole derivative. The five-membered ring is oriented with respect to the six-membered rings at dihedral angles of 51.59?(4) and 61.37?(4)°. The crystal structure is stabilized by inter-molecular N-H?O hydrogen-bond inter-actions between centrosymmetrically related mol-ecules [the dihedral angle between the benzene rings is 47.44?(5)°].

| S-EPMC2968336 | biostudies-literature

1-(4-Isopropyl-phen-yl)-5-(4-methoxy-phen-yl)pyrazolidin-3-one.

Project description:In the mol-ecule of the title compound, C(19)H(22)N(2)O(2), the pyrazolidinone ring has an envelope conformation, with the C atom attached to the 4-methoxy-phenyl ring displaced by 0.354?(3)?Å from the plane of the other ring atoms. The 4-iso-propyl-phenyl ring is oriented with respect to the 4-meth-oxy-phenyl ring at a dihedral angle of 88.94?(3)°. Intra-molecular C-H?N hydrogen bonds result in the formation of two planar five-membered rings, which are oriented with respect to the adjacent 4-isopropyl-phenyl and 4-meth-oxy-phenyl rings at dihedral angles of 4.05?(3) and 0.50?(3)°, respectively. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2961278 | biostudies-literature

1-(4-Fluoro-phen-yl)-5-(4-methoxy-phen-yl)pyrazolidin-3-one.

Project description:In the mol-ecule of the title compound, C(16)H(15)FN(2)O(2), the benzene rings are oriented at a dihedral angle of 88.61 (3)°. The five-membered ring adopts an envelope conformation. Intra-molecular C-H⋯N hydrogen bonds result in the formation of two planar five-membered rings. In the crystal structure, inter-molecular N-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules, forming R(2) (2)(8) and R(2) (2)(18) ring motifs. Weak C-H⋯π inter-actions may further stabilize the structure.

| S-EPMC2968975 | biostudies-literature

3-(4-Methoxy-phen-yl)-1H-isochromen-1-one.

Project description:The asymmetric unit of the title compound, C(16)H(12)O(3), contains two crystallographically independent mol-ecules. The isochromene ring system is planar (maximum deviation 0.024?Å) and is oriented at dihedral angles of 2.63?(3) and 0.79?(3)° with respect to the methoxy-benzene rings in the two independent mol-ecules.

| S-EPMC2968048 | biostudies-literature

3-(4-Fluoro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)FO(2), was prepared from 4-methoxy-hypnone and 4-fluoro-benzophenone by Claisen-Schmidt condensation. All the bond lengths and bond angles are in normal ranges. The dihedral angle formed by the two benzene rings is 33.49?(2)°. The crystal packing is stabilized by inter-molecular C-H?O hydrogen-bonding inter-actions.

| S-EPMC2969700 | biostudies-literature

3-(2-Fluoro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)FO(2), was prepared from 4-methoxy-hypnone and 2-fluoro-benzophenone by a Claisen-Schmidt condensation reaction. The dihedral angle between the two benzene rings is 31.99 (2)°. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds along [010].

| S-EPMC2971992 | biostudies-literature

1-(2-Fluoro-phen-yl)-6,7-dimethoxy-isochroman.

Project description:In the title compound, C(17)H(17)FO(3), the benzene ring of the isochroman unit is inclined at 84.96 (7)° to the fluoro-benzene ring plane, and the pyran ring adopts a half-boat conformation. In the crystal structure, C-H⋯O hydrogen bonds link mol-ecules into rows along the c axis, while C-H⋯O inter-actions and C-H⋯F hydrogen bonds to the fluorine acceptor stack the mol-ecules down the b axis. In addition, the crystal structure exhibits a weak C-H⋯π inter-action between a methyl H atom of the meth-oxy group and the dimethoxy-benzene ring of an adjacent mol-ecule.

| S-EPMC2969092 | biostudies-literature

(E)-3-(2-Chloro-phen-yl)-1-(3-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)ClO(2), adopts an E configuration with respect to the double bond of the propenone unit. The two benzene rings are twisted slightly from each other, making a dihedral angle of 7.14?(5)°. The mol-ecules are arranged in stacks, in which adjacent mol-ecules are related by inversion symmetry and form ?-? inter-actions with a centroid-centroid distance of 3.7098?(6)?Å. C-H?O and C-H?? inter-actions are formed between neighbouring mol-ecules.

| S-EPMC2962150 | biostudies-literature

(E)-3-(2,6-Dichloro-phen-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(16)H(12)Cl(2)O(2), the dichloro-phenyl and methoxy-phenyl groups are linked by a prop-2-en-1-one group. The C=C double bond is trans configured. The mol-ecule is not planar, as can be seen from the dihedral angle of 6.21?(7)° between the planes of the two rings. The crystal structure can be described by two types of crossed layers which are parallel to (110) and (10).

| S-EPMC2969433 | 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