Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

7-Bromo-1-(3-fluoro-phenyl-sulfon-yl)-2-methyl-naphtho-[2,1-b]furan.

ABSTRACT: In the title compound, C(19)H(12)BrFO(3)S, the 3-fluoro-phenyl ring makes a dihedral angle of 80.85?(5)° with the mean plane [r.m.s. deviation = 0.009?(2)Å] of the naphtho-furan fragment. In the crystal, mol-ecules are linked by slipped ?-? inter-actions between the furan and the outer benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.756?(3)?Å and slippage of 1.189?(3)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3470396 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

7-Bromo-1-(3-fluoro-phenyl-sulfon-yl)-2-methyl-naphtho-[2,1-b]furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20120929 Pt 10

In the title compound, C(19)H(12)BrFO(3)S, the 3-fluoro-phenyl ring makes a dihedral angle of 80.85 (5)° with the mean plane [r.m.s. deviation = 0.009 (2)Å] of the naphtho-furan fragment. In the crystal, mol-ecules are linked by slipped π-π inter-actions between the furan and the outer benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.756 (3) Å and slippage of 1.189 (3) Å]. ...[more]

PMID: 23125809

Similar Datasets

7-Bromo-1-(4-fluoro-phenyl-sulfon-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(12)BrFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 80.32?(5)° with the mean plane of the naphtho-furan fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions. The crystal structure also exhibits aromatic ?-? inter-actions between the central benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.564?(3)?Å].

| S-EPMC3051741 | biostudies-literature

1-(4-Bromo-phenyl-sulfon-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(13)BrO(3)S, the 4-bromo-phenyl ring makes a dihedral angle of 64.11?(2)° with the mean plane [r.m.s. deviation = 0.01?(2)?Å] of the naphtho-furan ring. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions. The crystal structure also exhibits slipped ?-? inter-actions between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.559?(2), slippage = 1.036?(2)?Å], and between the central naphtho-furan benzene ring and the furan ring of neighbouring mol-ecules [centroid-centroid distance = 3.655?(2), slippage = 1.136?(2)?Å].

| S-EPMC3414189 | biostudies-literature

7-Bromo-2-methyl-1-(phenyl-sulfon-yl)naphtho[2,1-b]furan.

Project description:The title compound, C(19)H(13)BrO(3)S, was prepared by the oxidation of 7-bromo-2-methyl-1-(phenyl-sulfan-yl)naph-tho[2,1-b]furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 80.4?(2)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by aromatic ?-? stacking inter-actions between the brominated benzene ring and the central benzene ring of the naphthofuran system of neighbouring mol-ecules; the centroid-centroid distances within the stack are 3.889?(3) and 3.981?(3)?Å. In addition, the stacked mol-ecules exhibit C-H??, inter- and intra-molecular C-H?O inter-actions.

| S-EPMC2961282 | biostudies-literature

2-Methyl-1-(phenyl-sulfon-yl)naphtho[2,1-b]furan.

Project description:The title compound, C(19)H(14)O(3)S, was prepared by the oxidation of 2-methyl-1-(phenyl-sulfan-yl)naphtho[2,1-b]furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 87.13?(4)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.850?(2)?Å] and weak C-H?? inter-actions. In addition, there are also intra-molecular C-H?O inter-actions.

| S-EPMC2961025 | biostudies-literature

2-Methyl-1-(4-methyl-phenyl-sulfon-yl)naphtho-[2,1-b]furan.

Project description:In the title compound, C(20)H(16)O(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 83.07?(3)° with the mean plane [r.m.s. deviation = 0.020?(1)?Å] of the naphtho-furan fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions.

| S-EPMC3344130 | biostudies-literature

2-Methyl-1-(3-methyl-phenyl-sulfon-yl)naphtho-[2,1-b]furan.

Project description:In the title compound, C20H16O3S, the dihedral angle between the mean planes of the naphtho-furan and 3-methyl-phenyl fragments is 88.56?(2)°. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers. These dimers are linked by ?-? inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.701?(2)?Å] into supra-molecular chains running along the a-axis direction.

| S-EPMC3998563 | biostudies-literature

1-(4-Bromo-phenyl-sulfin-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(13)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 83.75?(4)° with the mean plane of the naphtho-furan fragment [r.m.s. deviation = 0.024?(2)?Å]. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers. These dimers are connected by weak ?-? inter-actions between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.483?(2)?Å, inter-planar distance = 3.416?(2)?Å and slippage = 0.680?(2)?Å].

| S-EPMC3344175 | biostudies-literature

N-(Phenyl-sulfon-yl)naphtho-[2,1-b]furan-1-carboxamide.

Project description:In the title compound, C(19)H(13)NO(4)S, the mol-ecule is twisted at the S atom with a C-S-N-C torsion angle of -65.2?(2)° between the benzene ring and the -SO(2)-NH-C=O segment. The dihedral angle between the benzene and the naphtho-furan ring system is 83.3?(1)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into chains running along the c axis. An intra-molecular N-H?O(furan) inter-action is also observed.

| S-EPMC3239115 | biostudies-literature

7-Bromo-1-methyl-sulfinyl-2-phenyl-naphtho[2,1-b]furan.

Project description:In the title compound, C(19)H(13)BrO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the naphthofuran unit. The phenyl ring is rotated out of the naphthofuran plane, making a dihedral angle of 42.2?(1)°. The crystal structure is stabilized by two inter-molecular C-H?? inter-actions, and by non-classical inter-molecular C-H?O and C-H?Br hydrogen bonds.

| S-EPMC2977132 | biostudies-literature

2-Methyl-3-(phenyl-sulfon-yl)naphtho[1,2-b]furan.

Project description:In the title mol-ecule, C(19)H(14)O(3)S, the phenyl ring forms a dihedral angle of 69.13?(6)° with the plane of the naphthofuran fragment, being slightly tilted towards it. The crystal packing exhibits ?-? inter-actions between the benzene rings from neighbouring mol-ecules [centroid-centroid distance = 3.616?(4)?Å] and weak C-H?O and C-H?? inter-actions.

| S-EPMC2960217 | biostudies-literature

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