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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

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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

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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.

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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.

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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.

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

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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.

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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].

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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].

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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.

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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].

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

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