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

ABSTRACT: In the title mol-ecule, C12H11NO2S, the dioxane-type ring adopts a half-chair conformation. The thio-phene ring forms a dihedral angle of 12.53?(6)° with the benzene ring. In the crystal, N-H?O, hydrogen bonds link mol-ecules, forming chains along the c-axis direction. A weak intra-molecular C-H?O hydrogen bond is observed.

SUBMITTER: Mitchell LA

PROVIDER: S-EPMC4120538 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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6-Bromo-N-(6-bromo-pyridin-2-yl)-N-[4-(2,3-di-hydro-thieno[3,4-b][1,4]dioxin-5-yl)phen-yl]pyridin-2-amine.

Project description:In the title mol-ecule, C22H15Br2N3O2S, the central benzene ring forms dihedral angles of 12.39?(17), 56.66?(17) and 74.71?(19)°, respectively, with the mean planes of the thio-phene and two pyridine rings. The dioxane ring is in a half-chair conformation. An intra-molecular C-H?O hydrogen forms an S(6) ring. The amine N atom is sp (2)-hybridized.

| S-EPMC4120601 | biostudies-literature

(Z)-5-(3,4,5-Tri-meth-oxy-styr-yl)-2,3-di-hydro-thieno[3,4-b][1,4]dioxine.

Project description:In the title compound, C17H18O5S, an analogue of the potent anti-cancer agent combretastatin A-4, the alkene C=C bond has a cis conformation and the C-C=C-C torsion angle is 9.0 (3)°. The dihedral angle between the benzene and thio-phene rings is 54.07 (4)°. The dioxene ring adopts a half-chair conformation, with the C atoms of the methyl-ene groups displaced by -0.325 (2) and 0.341 (3) Å from the plane of the other atoms. The C atoms of the two meta-meth-oxy groups are close to being coplanar with their attached benzene ring [displacements = -0.025 (2) and -0.196 (2) Å], whereas the C atom of the para-meth-oxy group is significantly displaced [by -1.107 (2) Å]. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into [0-11] chains, which feature two different types of R 2 (2)(6) loops.

| S-EPMC3998537 | biostudies-literature

(E)-4-[7-(2,3-Di-hydro-thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo-thia-diazol-4-yl]-2-[(neo-pentyl-imino)-meth-yl]phenol.

Project description:In the title mol-ecule, C24H23N3O3S2, the benzo-thia-diazole ring system is essentially planar, with an r.m.s. deviation of 0.020?(8)?Å. The thio-phene and hy-droxy-substitiuted rings form dihedral angles of 23.43?(9) and 35.45?(9)°, respectively, with the benzo-thia-diazole ring system. An intra-molecular O-H?N hydrogen bond is observed. In the crystal, weak C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.880?(3)?Å] link mol-ecules into chains along [100]. In addition, there are short S?S contacts [3.532?(3)?Å] which link these chains, forming a two-dimensional network parallel to (010).

| S-EPMC4158547 | biostudies-literature

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

Project description: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.

| S-EPMC2960398 | biostudies-literature

Diethyl 2,5-bis-[(2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-yl)methyl-idene-amino]-thio-phene-3,4-dicarboxyl-ate acetone monosolvate.

Project description:The unique 3,4-ethyl-ene-dioxy-thio-phene (EDOT) unit of the title compound, C(24)H(22)N(2)O(8)S(3)·C(3)H(6)O, is twisted by 1.9 (3)° relative to the central thio-phene ring. The three heterocyclic units are anti-periplanar. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds connect the heterocycles. π-π interactions occur between the central thiophene and the imine bond of the molecule [distance between the ring centroid of the ring and the azomethine bond = 3.413 (3) Å.

| S-EPMC3238813 | biostudies-literature

5,7-Bis(1-benzothio-phen-2-yl)-2,3-dihydro-thieno[3,4-b][1,4]dioxine.

Project description:In the title compound, C(22)H(14)O(2)S(3), the dioxane ring is disordered over two sites [site occupancies = 0.623?(3) and 0.377?(3)]; both components adopt half-chair conformations. The two benzothio-phene ring systems are asymmetrically twisted away from the attached thio-phene ring [dihedral angles = 20.57?(3) and 6.70?(3)°] and are oriented at an angle of 26.83?(3)°. No significant hydrogen bonding or ?-? inter-actions are observed in the crystal structure.

| S-EPMC2961437 | biostudies-literature

2-(2,4-Dichloro-phen-yl)-9-phenyl-2,3-di-hydro-thieno[3,2-b]quinoline.

Project description:In the title compound, C(23)H(15)Cl(2)NS, the quinoline system is almost planar [r.m.s. deviation = 0.013?(2)?Å]. The phenyl group is disordered over two positions with site occupancies of 0.55 and 0.45, and is oriented in a nearly perpendicular configuration to the quinoline ring [the dihedral angles between the quinoline ring and the major and minor disordered components of the phenyl ring are 81.8?(2) and 71.6?(2)°, respectively]. The dihydro-thiene ring adopts an envelope conformation. The dihedral angle between the chloro-phenyl ring and the quinoline system is 79.32?(1)°. In the crystal weak C-H?? inter-actions occur.

| S-EPMC2977236 | biostudies-literature

2-Chloro-methyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine.

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⋯π inter-action.

| S-EPMC2968817 | biostudies-literature

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.

| S-EPMC2960460 | biostudies-literature

Diethyl 3,4-bis-(2,5-dimethoxy-benz-yl)thieno[2,3-b]thio-phene-2,5-di-car-boxylate.

Project description:In the title compound, C(30)H(32)O(8)S(2), the dihedral angle between the two benzene rings is 18.8?(1)°. The mol-ecular structure is stabilized by weak intra-molecular C-H?O hydrogen bonds. In the crystal structure, the mol-ecules are linked via weak inter-molecular C-H?O hydrogen bonds and ?-? inter-actions between two benzene rings [centroid-centroid distance = 3.672?(1)?Å].

| S-EPMC2971147 | biostudies-literature

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