Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Naphthalen-1-yl){2-[(5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}methanone.

ABSTRACT: The title compound C28H22O2, basically consists of three ring systems, viz. a central benzene ring, with a lateral napthalene group to which it subtends a dihedral angle of 66.56?(4)° and a tetra-hydro-pyran ring exhibiting a half-chair conformation. The mol-ecular structure is stabilized by a weak intra-molecular C-H?O inter-action, while the crystal packing features weak C-H?? contacts.

SUBMITTER: Kanchanadevi J

PROVIDER: S-EPMC3793712 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Naphthalen-1-yl){2-[(5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}methanone.

Kanchanadevi J J Anbalagan G G Sivasakthikumaran R R Mohanakrishnan A K AK Gunasekaran B B Manivannan V V

Acta crystallographica. Section E, Structure reports online 20130703 Pt 8

The title compound C28H22O2, basically consists of three ring systems, viz. a central benzene ring, with a lateral napthalene group to which it subtends a dihedral angle of 66.56 (4)° and a tetra-hydro-pyran ring exhibiting a half-chair conformation. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O inter-action, while the crystal packing features weak C-H⋯π contacts. ...[more]

PMID: 24109299

Similar Datasets

(3,6-Dimeth-oxy-naphthalen-2-yl)(naphthalen-2-yl)methanone.

Project description:In the title compound, C(23)H(18)O(3), the dihedral angle between the two naphthalene ring systems is 78.02?(3)°. The bridging carbonyl C-C(=O)-C plane makes a dihedral angle of 70.56?(5)° with the naphthalene ring system in the 2,7-dimeth-oxy-naphthalene moiety and a dihedral angle of 11.53?(5)° with the naphthalene ring system in the naphthoyl group. In the crystal, adjacent mol-ecules are linked via C-H?? inter-actions, forming chains along [010].

| S-EPMC3435680 | biostudies-literature

{2,7-Dieth-oxy-8-[(naphthalen-2-yl)carbon-yl]naphthalen-1-yl}(naphthalen-2-yl)methanone.

Project description:In the title compound, C36H28O4, the two 2-naphthoyl groups at the 1- and 8-positions of the central 2,7-dieth-oxy-naphthalene ring system are aligned almost anti-parallel and make a dihedral angle of 48.35?(5)°. The dihedral angles between the central 2,7-dieth-oxy-naphthalene ring system and the terminal naphthalene ring systems are 77.64?(4) and 73.73?(4)°. In the crystal, mol-ecules are linked into chains along the a-axis direction by dual C-H?O inter-actions between naphthoyl groups.

| S-EPMC3588451 | biostudies-literature

Crystal structure of (3,5-dibromo-2-hy-droxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl}methanone.

Project description:In the title compound, C21H12Br2N2O3, a 1,4-diaroyl pyrazole derivative, the dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and benzene rings, and the naphthalene ring system and benzene ring are 50.0?(2), 51.1?(2) and 1.34?(16)°, respectively. The phenolic proton forms an intra-molecular O-H?O hydrogen bond with the adjacent carbonyl O atom. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming inversion dimers. The dimers are linked by C-H?Br hydrogen bonds, forming double stranded chains along [01-1]. The chains are linked by ?-? inter-actions between the pyrazole rings and between the naphthalene and benzene rings [centroid-centroid distances = 3.592?(4) and 3.632?(4)?Å, respectively].

| S-EPMC4186182 | biostudies-literature

[2,7-Dimeth-oxy-8-(2-naphtho-yl)naphthalen-1-yl](naphthalen-2-yl)methanone.

Project description:The mol-ecule of the title compound, C(34)H(24)O(4), possesses crystallographically imposed twofold C(2) symmetry. The two 2-naphthoyl groups at the 1- and 8-positions of the central naphthalene ring are aligned almost anti-parallel [5.21?(5)°]. The dihedral angle between the central 2,7-dimeth-oxy-naphthalene unit and the terminal naphthyl groups is 75.13?(4)°. In the crystal, weak C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid and inter-planar distances are 3.6486?(8) and 3.3734?(5)?Å, respectively] are observed.

| S-EPMC3213537 | biostudies-literature

[2-Benzyl-3-(naphthalen-1-yl)-2,3-di-hydro-1,2-oxazole-4,5-di-yl]bis-(phenyl-methanone).

Project description:In the title compound, C34H25NO3, the five-membered heterocyclic ring adopts an envelope conformation with the N atom as the flap. The plane through the four basal atoms of this ring makes dihedral angles of 69.78 (13), 53.15 (12) and 86.42 (13)°, respectively, with the benzene rings of the benzyl group and the two phenyl-methanone groups at the 4 and 5 positions, and of 78.60 (11)° with the naphthalenyl system. In the crystal, the mol-ecules are linked through C-H⋯O and C-H⋯π contacts into layers parallel to (101).

| S-EPMC3998464 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C(19)H(16)O(3), contains three independent conformers. Each of the three conformers has essentially the same feature of non-coplanar aromatic rings whereby the aroyl group at the 1-position of the naphthalene ring is twisted in a perpendicular manner to the naphthalene ring. The dihedral angles between the benzene ring planes and the naphthalene ring systems are 75.34?(7), 86.47?(7) and 76.55?(6)° in the three conformers. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds.

| S-EPMC2983196 | biostudies-literature

(3,6-Dimeth-oxy-naphthalen-2-yl)(phen-yl)methanone.

Project description:In the title compound, C(19)H(16)O(3), the dihedral angle between the naphthalene ring system and the phenyl ring is 68.32 (5)°. The bridging carbonyl C-C(=O)-C plane makes a dihedral angle of 54.32 (5)° with the naphthalene ring system and 21.45 (6)° with the phenyl ring. An inter-molecular C-H⋯O hydrogen bond exists between the H atom of one meth-oxy group and the O atom of the second meth-oxy group in an adjacent mol-ecule. The crystal packing is additionally stabilized by a weak C-H⋯O inter-molecular inter-action between an H atom of the naphthalene ring and the O atom of the carbonyl group.

| S-EPMC3052025 | biostudies-literature

{2,7-Dieth-oxy-8-[(naphthalen-1-yl)carbon-yl]naph-thalen-1-yl}(naphthalen-1-yl)methanone.

Project description:In the title compound, C36H28O4, the 1-naphthoyl groups at the 1- and 8-positions of the central 2,7-dieth-oxy-naphthalene ring system are aligned almost anti-parallel and make a dihedral angle of 76.59?(4)°. The dihedral angles between the central 2,7-dieth-oxy-naphthalene ring system and the terminal naphthalene ring systems are 86.48?(4) and 83.97?(4)°. In the crystal, C-H?? inter-actions between the central naphthalene ring systems and the naphthoyl groups are observed along the a axis, with the mol-ecules forming a columnar structure. The columns are linked into chains parallel to the b axis by C-H?O inter-actions.

| S-EPMC3629527 | biostudies-literature

(Adamantan-1-yl)(phenyl-sulfan-yl)methanone.

Project description:Two independent mol-ecules (A and B) comprises the asymmetric unit of the title ester, C(17)H(20)OS. The phenyl ring is inclined with respect to the thio-carboxyl group, forming dihedral angles of 58.95 (6) (in mol-ecule A) and 62.28 (6)° (in mol-ecule B). In each independent mol-ecule, one adamantyl methyl-ene C atom is nearly coplanar with the thio-carboxyl group. The major difference between mol-ecules A and B relates to the relationship between the S atom and the coplanar adamantyl methyl-ene C atom [C(a)-C(q)-C(c)-S torsion angles = 178.25 (8) and 6.81 (13)°, respectively; C(a) = adamantyl methyl-ene C atom, C(q) = quaternary C atom and C(c) = carbonyl C atom], whereby the S atom in mol-ecule A has an anti relationship with the methyl-ene C atom and in mol-ecule B, the S atom is syn. In the crystal, C-H⋯π inter-actions are formed leading to supra-molecular layers in the ac plane.

| S-EPMC3393917 | biostudies-literature

(2,7-Dimeth-oxy-naphthalen-1-yl)(3-nitro-phen-yl)methanone.

Project description:The title compound, C(19)H(15)NO(5), has an intra-molecular C-H?O=C hydrogen bond between a naphthalene H atom and the O atom of the carbonyl group. The inter-planar angle between the naphthalene ring system and the benzene ring is 69.59?(5)°. The dihedral angle between the bridging carbonyl C-C(=O)-C plane and the naphthalene ring system is 61.02?(6)°, which is far larger than that between the bridging carbonyl plane and the benzene ring [12.68?(7)°]. The nitro group is slightly out of the plane of the benzene ring [O-N-C-C torsion angle = 4.97?(17)°]. In the crystal, the packing is mainly stabilized by C-H?O inter-actions between an H atom of the benzene ring and an O atom of the nitro group.

| S-EPMC3009278 | 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