Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2,7-Dimethoxy-naphthalene-1,8-di-yl)bis-(4-fluoro-benzo-yl)dimethanone.

ABSTRACT: The title compound, C(26)H(18)F(2)O(4), is a naphthalene derivative in which the two aroyl groups at the 1- and 8-positions (peri positions) are anti to each other. There is an appreciable difference in the dihedral angles between the naphthalene ring system and the two benzene rings [66.88?(7)° and 88.09?(6)°]. In the crystal, weak C-H?O inter-actions involving one of the carbonyl groups and an aromatic C-H group ortho to the F atom seem to stabilize the packing of the mol-ecules.

SUBMITTER: Watanabe S

PROVIDER: S-EPMC2979763 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(2,7-Dimethoxy-naphthalene-1,8-di-yl)bis-(4-fluoro-benzo-yl)dimethanone.

Watanabe Shoji S Nagasawa Atsushi A Okamoto Akiko A Noguchi Keiichi K Yonezawa Noriyuki N

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

The title compound, C(26)H(18)F(2)O(4), is a naphthalene derivative in which the two aroyl groups at the 1- and 8-positions (peri positions) are anti to each other. There is an appreciable difference in the dihedral angles between the naphthalene ring system and the two benzene rings [66.88 (7)° and 88.09 (6)°]. In the crystal, weak C-H⋯O inter-actions involving one of the carbonyl groups and an aromatic C-H group ortho to the F atom seem to stabilize the packing of the mol-ecules. ...[more]

PMID: 21579759

Similar Datasets

Bis(4-bromo-benzo-yl)(2,7-dimethoxy-naphthalene-1,8-di-yl)dimethanone.

Project description:In the title compound, C(26)H(18)Br(2)O(4), the two 4-bromo-benzoyl groups at the 1- and 8-positions of the naphthalene ring system are anti to each other. The dihedral angle between the two benzene rings is 50.92?(14)°. The dihedral angles between the two benzene rings and the naphthalene ring system are 70.18?(11) and 74.98?(12)°. A weak inter-molecular C-H?O hydrogen bond exists between the methyl group and the carbonyl O atom.

| S-EPMC2979875 | biostudies-other

1,8-Bis(4-amino-benzo-yl)-2,7-dimeth-oxy-naphthalene.

Project description:The title compound {systematic name: [8-(4-aminobenzoyl)-2,7-dimethoxynaphthalen-1-yl](4-aminophenyl)methanone}, C(26)H(22)O(4)N(2), possesses crystallographically imposed twofold symmetry, with two C atoms lying on the rotation axis. In the crystal, the mol-ecules inter-act through inter-molecular N-H?O hydrogen bonds between the amino and meth-oxy groups on the naphthalene ring systems and N-H?? inter-actions between the amino groups and the naphthalene rings. Furthermore, weak C-H?O hydrogen bonds and ?-? stacking inter-actions between the benzene rings are observed. The centroid-centroid and inter-planar distances between the benzene rings of the aroyl group and the naphthalene ring systems of adjacent mol-ecules are 3.6954?(8) and 3.2375?(5)?Å, respectively. The dihedral angle between the mean planes of the benzene ring and the naphthalene ring system is 83.59?(5)°. The benzene ring and the carbonyl group in the benzoyl unit are almost coplanar [C-C-C-O torsion angle = 175.91?(10)°].

| S-EPMC3009325 | biostudies-literature

2,7-Dimeth-oxy-1,8-bis-(4-phen-oxy-benzo-yl)naphthalene.

Project description:In the title mol-ecule {systematic name: [2,7-dimethoxy-8-(4-phenoxybenzoyl)naphthalen-1-yl](4-phenoxyphenyl)methan-one}, C(38)H(28)O(6), the 4-phen-oxy-benzoyl units adopt a syn orientation with respect to the naphthalene ring system. The inter-nal benzene rings, A and B, make dihedral angles of 86.72?(5) and 79.22?(5)° with the naphthalene ring system. The two terminal benzene rings, C and D, of the 4-phen-oxy-benzoyl groups are twisted with respect to benzene rings A and B, with dihedral angles of A/C = 62.72?(8) and B/D = 87.61?(6)°. In the crystal, H atoms in the naphthalene system make two types of inter-molecular C-H?O inter-actions with the carbonyl O atom and the phenyl etheral O atom of neighbouring mol-ecules. Mol-ecules are further linked by C-H?? inter-actions involving a H atom of terminal benzene ring D and the ?-system of the inter-nal benzene ring A, forming dimers centered about an inversion center.

| S-EPMC3009209 | 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?? 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

Crystal structure of 2,7-dieth-oxy-1,8-bis-(4-nitro-benzo-yl)naphthalene.

Project description:The title compound, C28H22N2O8, possesses crystallographically imposed twofold symmetry, with the two central carbon atoms of the naphthalene unit lying on the rotation axis. The two benzoyl groups in the mol-ecule are twisted away from the attached naphthalene unit with a C-C-C=O torsion angle of 49.05?(15)° between the naphthalene unit and the carbonyl group. The dihedral angle between the naphthalene ring system and the benzene ring is 77.17?(5)°. In the crystal, pairs of C-H?O=C hydrogen bonds link the mol-ecules into a double-column structure along the c axis. The mol-ecules are further linked by C-H?O=N hydrogen bonds, forming a three-dimensional network. C-H?? inter-actions between the methyl-ene group and the naphthalene unit and ?-? inter-actions between the naphthalene ring systems [centroid-centroid distances of 3.7858?(7)-3.7860?(7)?Å] are also observed.

| S-EPMC4186128 | biostudies-literature

Crystal structure of 1-(2-fluoro-benzo-yl)-2,7-di-meth-oxy-naphthalene.

Project description:The asymmetric unit of the compound, C19H15FO3, contains two independent molecules. Each molecule has essentially the same feature of non-coplanarly accumulated aromatic rings whereby the aroyl group at the 1-position of the naphthalene ring system is twisted almost perpendicularly to the ring system [dihedral angles of 86.52?(8) and 89.66?(8)°]. In the crystal structure, mol-ecules of the same conformer are stacked into columns parallel to the a axis by van der Waals inter-actions only.

| S-EPMC4257270 | biostudies-literature

1,8-Bis(4-fluoro-phen-yl)naphthalene.

Project description:In the title compound, C(22)H(14)F(2), the two benzene rings are oriented with respect to the naphthalene ring system at 67.76 (8) and 67.50 (8)°, and the two benzene rings are twisted with respect to each other at 18.95 (10)°. Weak inter-molecular C-H⋯π inter-actions are present in the crystal structure.

| S-EPMC3151928 | biostudies-literature

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 ?-? 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-other

2,7-Dimethoxy--1-(4-nitro-benzo-yl)-naphthalene.

Project description:In the title compound, C(19)H(15)NO(5), the dihedral angle between the naphthalene ring system and the benzene ring is 61.97?(5)°. The dihedral between the naphthalene ring system and the bridging carbonyl C-C(=O)-C plane is 54.68?(6)°, far larger than that [12.54?(7)°] between the phenyl group and the bridging carbonyl group. The nitro group and the phenyl ring are almost coplanar [O-N-C-C torsion angle = 2.94?(19)°]. In the crystal, mol-ecules are linked by C-H?? inter-actions and the phenyl rings are involved in a centrosymmetric ?-? inter-action with a perpendicular distance of 3.523?Å and a lateral offset of 1.497?Å. In addition, weak inter-molecular C-H?O hydrogen bonds are formed between an H atom of one meth-oxy group and a nearby carbonyl O atom.

| S-EPMC2983576 | biostudies-other

1-(4-Chloro-benzo-yl)-2,7-dimethoxy-naphthalene.

Project description:In the title compound, C(19)H(15)ClO(3), the dihedral angle between the naphthalene ring system and the benzene ring is 72.06?(7)°. The 4-chloro-phenyl group and the carbonyl group are almost coplanar. An inter-molecular C-H?O hydrogen bond is formed between an H atom of the 4-chloro-phenyl group and the O atom of one meth-oxy group, forming a zigzag chain along the a axis.

| S-EPMC2961834 | biostudies-other

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