Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,7-Bis(4-acetyl-phen-oxy)naphthalene.

ABSTRACT: The title compound, C(26)H(20)O(4), has an asymmetrical conformation at 193 K. The 4-acetyl-phenyl groups are twisted away from the the naphthalene ring system, with one benzene ring turned towards the 1-position of the naphthalene ring and the other benzene ring turned towards the 6-position. The inter-planar angles between the mean planes of the benzene rings and the naphthalene ring system are 68.71 (6) and 74.01 (6)°. The structure displays C-H⋯O hydrogen bonding and π-π stacking inter-actions [centroid-centroid and interplanar distances are 3.5938 (9) and 3.517 Å, respectively].

SUBMITTER: Nakaema K

PROVIDER: S-EPMC2960926 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

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

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

1,4-Bis-(4-meth-oxy-phen-yl)naphthalene.

Project description:The title naphthalene derivative, C24H20O2, features 4-methy-oxy-substituted benzene rings in the 1 and 4 positions of the naphthalene ring system. There are two crystallographically independent mol-ecules (A and B) in asymmetric unit. The independent mol-ecules have very similar conformations in which the naphthalene ring systems are only slightly bent, exhibiting dihedral angles between the constituent benzene rings of 3.76 (15) and 3.39 (15)° for A and B, respectively. The pendent 4-methyoxybenzene rings are splayed out of the plane through the naphthalene ring system to which they are connected [range of dihedral angles = 59.63 (13) to 67.09 (13)°]. In the crystal, the mol-ecular packing is consolidated by inter-molecular C-H⋯π inter-actions, leading to supra-molecular chains along the b axis. The chains assemble without directional inter-actions between them.

| S-EPMC9462186 | biostudies-literature

2,7-Bis(prop-2-yn-1-yl-oxy)naphthalene.

Project description:The title compound, C(16)H(12)O(2), was synthesized from naphthalene-2,7-diol and prop-2-ynyl 4-methyl-benzene-sulfonate in the presence of sodium hydride. The crystal packing exhibits inter-molecular non-classical C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3006840 | biostudies-other

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⋯π inter-actions between the methyl-ene group and the naphthalene unit and π-π 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

[8-(4-Phen-oxy-benzo-yl)-2,7-bis-(propan-2-yl-oxy)naphthalen-1-yl](4-phen-oxy-phen-yl)methanone.

Project description:The entire title mol-ecule, C(42)H(36)O(6), is completed by the application of a twofold axis. The 4-phen-oxy-benzoyl groups at the 1- and 8-positions of the naphthalene ring system are aligned almost anti-parallel. The dihedral angle between the best planes of the benzene rings of the benzoyl moieties and the naphthalene ring system is 70.52 (5)° and that between the best planes of the benzene rings of the phen-oxy groups and the naphthalene ring system is 27.80 (6)°. In the crystal, mol-ecules are linked into a three-dimensional architecture by C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3569775 | biostudies-literature

(2,7-Dimeth-oxy-naphthalen-1-yl)(4-phen-oxy-phen-yl)methanone.

Project description:In the title mol-ecule, C25H20O4, the naphthalene and phen-oxy groups are oriented nearly perpendicular with respect to the benzene ring of the benzoyl group, with dihedral angles of 89.61?(5) and 86.13?(6)°, respectively. The crystal structure features C-H?O and C-H?? inter-actions.

| S-EPMC3588466 | biostudies-literature

1,8-Bis(4-meth-oxy-3-nitro-phen-yl)naphthalene.

Project description:Mol-ecules of the title compound, C(24)H(18)N(2)O(6), are located on a twofold rotation axis passing through through the central C-C bond of the naphthalene ring system. The mol-ecular conformation is characterized by a roughly coplanar arrangement of the two substituted phenyl rings [dihedral angle 18.53?(5)°]. These two aryl rings are each twisted by 65.40?(5)° from the plane of the naphthyl unit.

| S-EPMC3201427 | biostudies-other

(8-Benzoyl-2,7-dimeth-oxy-naphthalen-1-yl)(4-phen-oxy-phen-yl)methanone.

Project description:In the mol-ecule of the title compound, C32H24O5, the benzoyl group and the 4-phenoxy substituted benzoyl group at the 1- and 8-positions of the naphthalene ring system are aligned almost anti-parallel. The two benzene rings make a dihedral angle of 21.18?(10)°, and are inclined to the naphthalene ring system by 86.53?(9) and 82.95?(8)°, respectively. In the crystal, C-H?O inter-actions are observed involving aromatic and meth-oxy H atoms with ketonic carbonyl O atoms, as well as C-H?? inter-actions between aromatic H atoms and the ?-systems of naphthalene and benzene rings. These interactions form a three-dimensional architecture and afford a waved alignment of the naphthalene ring systems along the c axis.

| S-EPMC3588546 | 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