Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2-Methyl-naphtho[2,1-b]furan-1-yl)acetic acid.

ABSTRACT: In the title mol-ecule, C(15)H(12)O(3), the two six-membered and one five-membered fused-ring system is almost planar and the CH(2)C(=O)OH residue is essentially orthogonal to it. In the crystal structure, centrosymmetric dimers are formed via the carboxylic acid {?O=C-O-H}(2) synthon.

SUBMITTER: Jevric M

PROVIDER: S-EPMC2961634 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(2-Methyl-naphtho[2,1-b]furan-1-yl)acetic acid.

Jevric Martyn M Taylor Dennis K DK Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20080530 Pt 6

In the title mol-ecule, C(15)H(12)O(3), the two six-membered and one five-membered fused-ring system is almost planar and the CH(2)C(=O)OH residue is essentially orthogonal to it. In the crystal structure, centrosymmetric dimers are formed via the carboxylic acid {⋯O=C-O-H}(2) synthon. ...[more]

PMID: 21202674

Similar Datasets

2-[1-(Methyl-sulfan-yl)naphtho[2,1-b]furan-2-yl]acetic acid.

Project description:The title compound, C(15)H(12)O(3)S, was prepared by alkaline hydrolysis of ethyl 2-{1-(methyl-sulfan-yl)naphtho[2,1-b]furan-2-yl}acetate. The crystal structure is stabilized by CH(2)-H⋯π inter-actions between the methyl H atoms of the methyl-sulfanyl substituent and the central benzene ring of the naphthofuran system, and by inversion-related inter-molecular O-H⋯O hydrogen bonds between the carboxyl groups.

| S-EPMC2960208 | 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 π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.850 (2) Å] and weak C-H⋯π 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 π-π 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

Methyl 2-(5-bromo-2-methyl-naphtho[2,1-b]furan-1-yl)acetate.

Project description:The three fused six-, six- and five-membered rings in the title compound, C(16)H(13)BrO(3), are coplanar, the CH(2)C(=O)OCH(3) residue being twisted out of this plane [dihedral angle = -26.9?(4)°]. Centrosymmetric dimers are found in the crystal structure stabilized by C-H?O inter-actions involving the furan O atom.

| S-EPMC2961467 | biostudies-literature

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

Project description:In the title compound, C20H15BrO2S, the dihedral angle between the mean plane [r.m.s. deviation = 0.030 (2) Å] of the naphtho-furan ring system and the 4-methyl-phenyl ring is 38.49 (9)°. In the crystal, mol-ecules are linked by C-H⋯π and C-Br⋯π [3.871 (2) Å] inter-actions into stacks along the b-axis direction. These stacks are further linked by weak C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3770411 | 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

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 π-π 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⋯π, inter- and intra-molecular C-H⋯O inter-actions.

| S-EPMC2961282 | biostudies-literature

7-Bromo-1-(3-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 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].

| S-EPMC3470396 | 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