Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,8-Dibenzoyl-naph-tha-lene-2,7-diyl dibenzoate.

ABSTRACT: In the title compound, C(38)H(24)O(6), the phenyl rings of the benzoyl and benzo-yloxy groups make dihedral angles of 67.12?(5), 85.15?(5), 76.41?(5) and 71.47?(5)° with the naphthal-ene ring system. In the crystal, C-H?O hydrogen bonds link mol-ecules into chains parallel to the b axis. The structure also features C-H?? and ?-? stacking inter-actions, with centroid-centroid distances in the range 3.6441?(7)-3.9197?(8)?Å.

SUBMITTER: Sakamoto R

PROVIDER: S-EPMC3414365 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,8-Dibenzoyl-naph-tha-lene-2,7-diyl dibenzoate.

Sakamoto Rei R Sasagawa Kosuke K Hijikata Daichi D Okamoto Akiko A Yonezawa Noriyuki N

Acta crystallographica. Section E, Structure reports online 20120714 Pt 8

In the title compound, C(38)H(24)O(6), the phenyl rings of the benzoyl and benzo-yloxy groups make dihedral angles of 67.12 (5), 85.15 (5), 76.41 (5) and 71.47 (5)° with the naphthal-ene ring system. In the crystal, C-H⋯O hydrogen bonds link mol-ecules into chains parallel to the b axis. The structure also features C-H⋯π and π-π stacking inter-actions, with centroid-centroid distances in the range 3.6441 (7)-3.9197 (8) Å. ...[more]

PMID: 22904898

Similar Datasets

1,8-Dibenzoyl-2,7-dimethoxy-naphthalene.

Project description:The mol-ecule of the title compound, C(26)H(20)O(4), is located on a twofold rotation axis. The two benzoyl groups are situated in an anti orientation. The dihedral angle between the mean planes of the phenyl ring and the naphthalene ring system is 80.25 (6)°. The phenyl and carbonyl groups in each benzoyl group are almost coplanar. The mol-ecular packing is stabilized by weak C-H⋯O hydrogen bonds and a π-π stacking inter-action between the phenyl rings [centroid-centroid and inter-planar distances of 3.6383 (10) and 3.294 Å, respectively].

| S-EPMC2961268 | biostudies-literature

Poly[(?-4,4'-bipyridine)(?-naph-tha-lene-1,4-dicarboxyl-ato)iron(II)].

Project description:The asymmetric unit of the title compound, [Fe(C(12)H(6)O(4))(C(10)H(8)N(2))], consists of two independent Fe(II) atoms, two naphthalene-1,4-dicarboxyl-ate anions and two 4,4'-bipyridine ligands. The Fe(II) atoms are each coordinated by four O atoms of the naphthalene-1,4-dicarboxyl-ate anions and two N atoms of the 4,4'-bipyridine ligands within a distorted octa-hedron. Two Fe(II) atoms are bridged via the carboxyl-ate groups of two symmetry-related anions into dimers, which are further connected into chains. These chains are linked by additional anions into layers that are finally connected by the 4,4'-bipyridine ligands into a three-dimensional coordination network.

| S-EPMC2968022 | biostudies-literature

2-Chloro-3-(4-methyl-anilino)naph-tha-lene-1,4-dione.

Project description:In the title compound, C17H12ClNO2, the naphtho-quinone system is essentially planar [maximum deviation = 0.078 (2) Å] and makes a dihedral angle of 52.38 (7)° with the benzene ring. The crystal structure features N-H⋯O inter-actions.

| S-EPMC3588974 | biostudies-literature

Diethyl 4,4'-(3,6-dioxaoctane-1,8-diyl-dioxy)dibenzoate.

Project description:The title compound, C(24)H(30)O(8), was obtained by reaction of ethyl 4-hy-droxy-benzoate with 1,2-dichloro-ethane. The mol-ecule occupies a crystallographic inversion center, with its central ethyl-ene bridge in an anti conformation. The other ethyl-ene bridge has a gauche conformation, with the corresponding O-C-C-O torsion angle being 74.2?(1)°. The benzene rings are almost coplanar with the adjacent eth-oxy-carbonyl groups, with an r.m.s. deviation of 0.078?Å.

| S-EPMC3295487 | biostudies-literature

1-Benzoyl-naphthalene-2,7-diyl dibenzoate.

Project description:In the title compound, C(31)H(20)O(5), the phenyl rings of the benzo-yloxy and benzoyl groups are twisted away from the naphthalene ring system by 64.27?(6), 73.62?(5) and 80.41?(6)°. In the crystal, C-H?O hydrogen bonds and C-H?? inter-actions link the mol-ecules, forming tubular chains parallel to the b axis. The chains are further connected into a three-dimensional network by C-H?? inter-actions and ?-? stacking contacts [centroid-centroid distances = 3.622?(10)-3.866?(12)?Å].

| S-EPMC3569746 | biostudies-other

Bis(1H-imidazole-κN)bis-(1-naph-tha-lene-acetato-κO,O')cadmium(II).

Project description:In the mononuclear title compound, [Cd(C(12)H(9)O(2))(2)(C(3)H(4)N(2))(2)], the Cd(II) centre has a distorted octa-hedral coordination geometry defined by four O atoms from two naphthalene-acetate ligands and two N atoms from two imidazole ligands. The mol-ecules are linked by N-H⋯O hydrogen bonds, forming a layer network.

| S-EPMC2961099 | biostudies-literature

Crystal structure of 1,8-dibenzoyl-2,7-di-phen-oxy-naphthalene.

Project description:In the title compound, C36H24O4, the benzene rings of the benzoyl and phen-oxy groups make dihedral angles of 75.01?(4), 75.78?(4), 83.17?(5) and 80.84?(5)° with the naphthalene ring system. In the crystal, two types of C-H?? inter-actions between the benzene rings of the benzoyl groups and the naphthalene unit, and two kinds of ?-? inter-actions between the benzene rings, with centroid-centroid distances of 3.879?(1) and 3.696?(1)?Å, are observed.

| S-EPMC4257173 | biostudies-literature

(18-Crown-6)potassium [(1,2,5,6-?)-cyclo-octa-1,5-diene][(1,2,3,4-?)-naph-tha-lene]-ferrate(-I).

Project description:The title salt, [K(C(12)H(24)O(6))][Fe(C(8)H(12))(C(10)H(8))], is the only known naphthalene complex containing iron in a formally negative oxidation state. Each (naphthalene)(1,5-cod)ferrate(-I) anion is in contact with one (18-crown-6)potassium cation via K?C contacts to the outer four carbon atoms of the naphthalene ligand (cod = 1,5-cyclo-octa-diene, 18-crown-6 = 1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne). When using the midpoints of the coordinating olefin bonds, the overall geometry of the coordination sphere around iron can be best described as distorted tetra-hedral. The naphthalene fold angle between the plane of the iron-coordinating butadiene unit and the plane containing the exo-benzene moiety is 19.2?(1)°.

| S-EPMC3470125 | biostudies-literature

4'-Phenyl-3,4-di-hydro-2H-spiro-[naph-tha-lene-1,3'-[1,2,4]triazole]-5'-thione.

Project description:In the title mol-ecule, C17H15N3S, the phenyl group makes a dihedral angle of 57.29?(11)° with the mean plane of the triazole ring, which in turn makes an angle of 86.83?(12)° with the plane of the aromatic portion of the tetra-hydro-naphthalene moiety. In the crystal, mol-ecules are linked by weak C-H?S hydrogen bonds into supra-molecular chains propagating along the a-axis direction. Weak C-H?? inter-actions are also observed.

| S-EPMC4051013 | biostudies-literature

1,8-Bis(4-fluoro-benzo-yl)naphthalen-2,7-diyl dimethane-sulfonate.

Project description:The mol-ecule of the title compound, C26H18F2O8S2, lies across a crystallographic twofold rotation axis. The benzene rings of the 4-fluorobenzoyl groups make dihedral angles of 78.93 (12)° with the naphthalene ring system. An intra-molecular C-H⋯π inter-action occurs. In the crystal, a number of C-H⋯O inter-actions link the mol-ecules, forming a three-dimensional structure.

| S-EPMC3629596 | 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