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5,7-Di-2-pyridyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine.

ABSTRACT: The title compound, C(16)H(12)N(2)O(2)S, was prepared by a Neigishi cross-coupling reaction to investigate the coordination chemistry of thio-phene-containing ligands. In the mol-ecule, the pyridine rings are twisted from the thio-phene ring by 20.6?(1) and 4.1?(2)°. The six-membered dihydro-dioxine ring is in a half-chair conformation.

SUBMITTER: Djukic B

PROVIDER: S-EPMC2960398 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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5,7-Di-2-pyridyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine.

Djukic Brandon B Harrington Laura E LE Britten James F JF Lemaire Martin T MT

Acta crystallographica. Section E, Structure reports online 20080116 Pt 2

The title compound, C(16)H(12)N(2)O(2)S, was prepared by a Neigishi cross-coupling reaction to investigate the coordination chemistry of thio-phene-containing ligands. In the mol-ecule, the pyridine rings are twisted from the thio-phene ring by 20.6 (1) and 4.1 (2)°. The six-membered dihydro-dioxine ring is in a half-chair conformation. ...[more]

PMID: 21201489

Similar Datasets

Diethyl 2,3-dihydro-thieno[3,4-b]-1,4-dioxine-5,7-dicarboxyl-ate.

Project description:The title compound, C(12)H(14)O(6)S, is a dicarboxylic acid diethyl ester of 3,4-ethyl-enedioxy-thio-phene, which is a component of electrically conductive poly(3,4-ethyl-enedioxy-thio-phene) (PEDOT). The ethyl-ene group is disordered over two sites with occupancy factors 0.64 and 0.36. Both the carbonyl groups are coplanar with the thio-phene ring. The mol-ecules form centrosymmetric dimers with an R(2) (2)(12) coupling by inter-molecular C-H?O hydrogen bonds [3.333?(5)?Å] at the ethoxy-carbonyl groups. The dimer units are arranged to form a ribbon-like mol-ecular sheet.

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Project description:In the mol-ecule of the title compound, C(7)H(7)ClO(2)S, the six-membered ring adopts a twisted conformation. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules. There is also a weak C-H?? inter-action.

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4-(2,3-Di-hydro-thieno[3,4-b][1,4]dioxin-5-yl)aniline.

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1-Nitro-2,3-di-2-pyridyl-2,3-dihydro-indolizine.

Project description:The title compound, C(18)H(14)N(4)O(2), was found as a by-product in the nitro-aldol reaction between 2-(nitro-meth-yl)pyridine and N-(pyridin-2-ylmethyl-idene)methane-amine. Its two stereogenic centers give rise to four stereoisomers of which only the anti isomers are found in this crystal structure.

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5,7-Dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium picrate.

Project description:In the cation of the title compound, C(7)H(13)N(2) (+)·C(6)H(2)N(3)O(7) (-), the seven-membered 1,4-diazepine ring forms a twist chair conformation. The two o-nitro groups in the anion are twisted by 35.0?(7) and 36.0?(9)° from the benzene ring. In the crystal, N-H?O hydrogen bonds between the cation and anion along with weak C-H?O hydrogen bonds produce chains along the b axis. C-H?O hydrogen bonds connecting the chains are also present.

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3,4-Di-methyl-thieno[2,3-b]thio-phene-2,5-dicarbo-nitrile.

Project description:The asymmetric unit of the title compound, C10H6N2S2, contains two crystallographically independent but conformationally similar mol-ecules. The fused thio-phene ring cores are almost planar [maximum deviation = 0.027?(3)?Å] with the thio-phene rings forming dihedral angles of 0.5?(4)° in one mol-ecule and 1.91?(4)° in the other. The crystal packing is stabilized only by van der Waals inter-actions.

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Crystal structure of poly[[aqua-(μ-2,3-di-hydro-thieno[3,4-b][1,4]dioxine-5,7-di-carboxyl-ato-κ2O5:O7)[μ-di(pyridin-4-yl)sulfane-κ2N:N']zinc] 0.26-hydrate].

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