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2,3:6,7-Bis(methyl-enedi-oxy)-phenanthrene.

ABSTRACT: In the title mol-ecule, C(16)H(10)O(4), all the non-H atoms are coplanar. The crystal structure is stabilized by weak inter-molecular C-H⋯O contacts and π-π stacking inter-actions (the inter-planar distance is 3.43 Å).

SUBMITTER: Wang YX

PROVIDER: S-EPMC2924211 | biostudies-literature |

REPOSITORIES: biostudies-literature

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6,7-Bis(methyl-sulfan-yl)-2,3-[(3,6,9-trioxaundecane-1,11-di-yl)bis-(sulfanediylmethyl-ene)]-1,4,5,8-tetra-thia-fulvalene.

Project description:In the title compound, C(18)H(26)O(3)S(8), the two five-membered rings exhibit envelope conformations. The two S atoms in the 17-membered macrocycle deviate from the plane of the fused five-membered ring by 1.429 (3) and -1.434 (3) Å in opposite directions.

| S-EPMC2979097 | biostudies-literature

2-Methyl-5,6-methyl-enedi-oxy-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(16)H(12)O(5)S, was prepared by oxidation of 2-methyl-5,6-methyl-ene-di-oxy-3-phenyl-sulfanyl-1-benzo-furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 83.64?(4)° with the mean plane of the 5,6-(methyl-ene-di-oxy)-benzo-furan fragment. The crystal structure is stabilized by C-H?? inter-actions between a benzene H atom of the 5,6-(methyl-ene-di-oxy)-benzo-furan unit and the phenyl ring of the phenyl-sulfonyl substituent. Additionally, the crystal structure exhibits inter- and intra-molecular C-H?O inter-actions.

| S-EPMC2961259 | biostudies-literature

(S)-(Z)-Methyl 2-[2,3-bis-(benzyl-oxy-carbon-yl)guanidino]-4-methyl-penta-no-ate.

Project description:The title mol-ecule, C(24)H(29)N(3)O(6), has a nearly planar ten-atom C(3)N(3)O(4) core, on account of both N-H groups forming six-membered-ring intra-molecular hydrogen bonds to carbamate carbonyl O atoms. The absolute configuration was determined from resonant scattering of light atoms in Mo K? radiation, agreeing with the configuration of starting materials.

| S-EPMC3050400 | biostudies-literature

2-(4-Fluoro-phen-yl)-5,6-methyl-enedi-oxy-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(16)H(11)FO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the mean plane through the 5,6-(methyl-enedi-oxy)benzofuran fragment. The 4-fluoro-phenyl ring is rotated out of the 5,6-(methyl-enedi-oxy)benzofuran plane, making a dihedral angle of 29.90?(6)°. In the crystal structure, both inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers. The combination of C-H?O hydrogen bonds result in chains running along [1].

| S-EPMC2983733 | biostudies-literature

2,3-Bis(ethyl-sulfan-yl)-1,4,5,8-tetra-thia-fulvalene-6,7-dicarbonitrile.

Project description:In the title compound, C(12)H(10)N(2)S(6), all non-H atoms, except for those in the ethyl groups, lie in the same non-crystallographic plane, with a r.m.s. deviation of 0.0366?(5)?Å. In the crystal structure, mol-ecules are linked through weak C-H?N hydrogen bonds between methyl and cyano groups, forming centrosymmetric dimers. The dimers are arranged along the a axis, due to inter-molecular N?S [3.337?(4)?Å] inter-actions.

| S-EPMC3213538 | biostudies-literature

Poly[[bis-(dimethyl-formamide)[?(7)-5,5'-(methyl-enedi-oxy)diisophthalato]dizinc] dimethyl-formamide monosolvate].

Project description:In the crystal structure of the title coordination polymer, {[Zn(2)(C(17)H(8)O(10))(C(3)H(7)NO)(2)]·C(3)H(7)NO}(n), the mol-ecular build-ing block (MBB), viz. {Zn(2)(CO(2))(4)(C(3)H(7)NO)(2)}, comprises two zinc atoms, each bridged by three carboxyl-ate groups. These two Zn atoms exhibit different coordination environments: a distorted coordination intermediate between trigonal-pyramidal, and square-pyramidal formed by the two coordinated dimethyl-formamide mol-ecules and three carboxylate groups, and a distorted tetra-hedral coordination defined by carboxy-late groups of which three are bidentate bridging and the fourth is a monodentate ligand. Thus, each ligand connects four MBBs, forming the three-dimensional polymer.

| S-EPMC3201252 | biostudies-other

2,3-[(3,6-Dioxaoctane-1,8-diyl)bis(sul-fanediylmethylene)]-6,7-bis(methylsulfanyl)-1,4,5,8-tetra-thia-fulvalene.

Project description:In the title mol-ecule, C(16)H(22)S(8)O(2), two S atoms, two O atoms and ten C atoms form a 14-membered ring with a boat conformation. In the crystal, C-H?O hydrogen bonds link the mol-ecules into dimers which are further connected into a chain along the a axis by C-H?S hydrogen bonds.

| S-EPMC2971456 | biostudies-literature

Dipotassium diaqua-bis(methyl-enedi-phospho-nato-?O,O')cobaltate(II).

Project description:In the title complex, K(2)[Co(CH(4)O(6)P(2))(2)(H(2)O)(2)], the asymmetric unit contains two K(+) cations and two half-anions in which the Co atoms lie on inversion centers. The Co(II) ions assume an octa-hedral CoO(6) coordination geometry. In the crystal, a three-dimensional network is formed through O-H?O hydrogen-bond inter-actions as well as inter-molecular inter-actions between the K(+) cations and neighbouring O atoms.

| S-EPMC2979685 | biostudies-literature

2,3-Bis[(2-methyl-phen-oxy)meth-yl]buta-1,3-diene.

Project description:The mol-ecule of the title compound, C(20)H(22)O(2), a symmetrically 2-methyl-phenol-substituted divinyl analog, exhibits crystallographically imposed C(2) symmetry. The mol-ecular structure is essentially planar. The structure is stabilized by a short inter-molecular C-H?O contact. Cooperative C-H?? inter-actions generate an infinite one-dimensional chain of mol-ecules along the a axis.

| S-EPMC2915193 | biostudies-other

Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.

Project description:The title salt (I), C6H8N+·C20H17O8-, comprises a 2-methyl-pyridinium cation and a 2,3-bis-(4-methyl-benzo-yloxy)succinate mono-anion while the salt (II), 2C6H8N+·2C20H17O8-·5H2O, consists of a pair of 4-methyl-pyridinium cations and 2,3-bis-(4-methyl-benzo-yloxy)succinate mono-anions and five water mol-ecules of solvation in the asymmetric unit. In (I), the dihedral angle between the aromatic rings of the anion is 40.41 (15)°, comparing with 43.0 (3) and 85.7 (2)° in the conformationally dissimilar anion mol-ecules in (II). The pyridine ring of the cation in (I) is inclined at 23.64 (16) and 42.69 (17)° to the two benzene moieties of the anion. In (II), these comparative values are 4.7 (3), 43.5 (3)° and 43.5 (3), 73.1 (3)° for the two associated cation and anion pairs. The crystal packing of (I) is stabilized by inter-ionic N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds as well as weak C-H⋯π inter-actions, linking the ions into infinite chains along [100]. In the crystal packing of (II), the anions and cations are also linked by N-H⋯O and O-H⋯O hydrogen bonds involving also the water mol-ecules, giving a two-dimensional network across (001). The crystal structure is also stabilized by weak C-H⋯O and C-H⋯π inter-actions.

| S-EPMC5730300 | biostudies-literature

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