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2-Phenyl-2,3-dihydro-phenanthro[9,10-b][1,4]dioxine.

ABSTRACT: In the title compound, C(22)H(16)O(2), the phenanthrene ring system is essentially planar [maximum deviation = 0.058 (1) Å] and is inclined at an angle of 58.39 (6)° to the phenyl ring. The 1,4-dioxane ring is in a chair conformation. In the crystal, mol-ecules are stacked along the b axis, but no significant hydrogen bonds are observed.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3051958 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

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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

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?? inter-action.

| S-EPMC2968817 | biostudies-other

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.

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Racemic 9,10-dimeth-oxy-3-methyl-6-phenyl-7,7a-dihydro-benzo[b]benzo[4,5]isothia-zolo[2,3-d][1,4]diazepine 12,12-dioxide.

Project description:There are two molecules in the asymmetric unit of the title compound, C(24)H(22)N(2)O(4)S. The conformation of the seven-membered ring is twisted boat for both molecules. The molecule is chiral, but crystal symmetry generates a recemate. The crystal packing is stabilized by weak intermolecular C-H?O hydrogen bonds.

| S-EPMC3052004 | biostudies-literature

7-Phenyl-sulfonyl-2,3-dihydro-7H-1,4-benzodioxino[6,7-b]carbazole.

Project description:In the title compound, C(24)H(17)NO(4)S, the phenyl ring makes a dihedral angle of 88.12?(5)° with the carbazole unit. The mol-ecular structure is stabilized by weak intra-molecular C-H?O inter-actions and the crystal packing exhibits weak inter-molecular C-H?O and C-H?? inter-actions. Two C atoms of the 2,3-dihydro-1,4-dioxine fragment are disordered over two positions with site-occupancy factors of 0.718?(11) and 0.282?(11).

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5,6-Dihydro-2H-1,3-dithiolo[4,5-b][1,4]dioxine-2-thione.

Project description:The title mol-ecule, C(5)H(4)O(2)S(3), consists of a planar [mean deviation = 0.020?(1)?Å] 1,3-dithiole-2-thione unit with an ethyl-enedi-oxy group in the 4,5-positions. The dioxine ring is in a twist-chair conformation.

| S-EPMC3120295 | biostudies-literature

3,9-Dimethyl-2,3-dihydro-phenanthro[1,2-b]furan-4,5-dione.

Project description:The title compound, C(18)H(14)O(3), consists of a four-ring system which contains three six-membered rings forming a phenanthrene-dione system and a five-membered 1,2-dihydro-methyl-furan ring. A three-dimensional supra-molecular framework is formed via non-classical inter-molecular C-H⋯O hydrogen bonds.

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1,4-Dihydro-benzo[g]quinoxaline-2,3-dione.

Project description:The title compound, C12H8N2O2, was prepared by the reaction of the diethyl ester of naphthalene-bis-(oxamate) with tert-BuNH2. The mol-ecule is nearly planar, with an r.m.s. deviation of 0.017?Å from the plane through all 16 non-H atoms. In the crystal, a three-dimensional network is formed, composed of layers of mol-ecules along the b- and c-axis directions, due to the formation of inter-molecular N-H?O hydrogen bonds, as well as of chains along the a-axis direction due to parallel displaced sandwich-type ?-? inter-actions with average distances between the inter-acting mol-ecules in the range 3.35-3.40?Å.

| S-EPMC3589036 | biostudies-literature

S-4-Chloro-phenyl 9,10-dihydro-acridine-9-carbothio-ate.

Project description:In tricyclic fragment of the title mol-ecule, C(20)H(14)ClNOS, the central 1,4-dihydro-pyridine ring adopts a boat conformation while the two benzene rings form a dihedral angle of 17.38?(5)°. In the crystal structure, weak inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains propagating along the b axis.

| S-EPMC2968442 | biostudies-literature

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