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Poly[(?-5,7-dihydr-oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)potassium(I)].

ABSTRACT: In the polymeric title compound, [K(C(15)H(9)O(7)S)](n), the potassium cation is five-coordinated by four sulfonate O atoms and one carbonyl O atom. Two intra-molecular O-H?O hydrogen bonds stabilize the conformation of the anion. The polymeric three-dimensional supra-molecular architecture is formed via coordination inter-actions and ?-? stacking inter-actions involving centrosymmetrically related pyrone rings, with a centroid-centroid separation of 3.513?(2)?Å.

SUBMITTER: Liu B

PROVIDER: S-EPMC2967906 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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Poly[(μ-5,7-dihydr-oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)potassium(I)].

Liu Bin B Yang Bo-Lun BL

Acta crystallographica. Section E, Structure reports online 20081213 Pt 1

In the polymeric title compound, [K(C(15)H(9)O(7)S)](n), the potassium cation is five-coordinated by four sulfonate O atoms and one carbonyl O atom. Two intra-molecular O-H⋯O hydrogen bonds stabilize the conformation of the anion. The polymeric three-dimensional supra-molecular architecture is formed via coordination inter-actions and π-π stacking inter-actions involving centrosymmetrically related pyrone rings, with a centroid-centroid separation of 3.513 (2) Å. ...[more]

PMID: 21581534

Similar Datasets

Hexaaqua-(5,7-dihydr-oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr-oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate.

Project description:In the title compound, [Ca(C(15)H(9)O(7)S)(H(2)O)(6)](C(15)H(9)O(7)S)·3H(2)O, the Ca centre has a distorted deca-hedral geometry, coordinated by six O atoms from water mol-ecules and one sulfonate O atom. The crystal structure is stabilized by aromatic π-π inter-actions, with centroid-centroid distances of 3.765 (5) and 3.896 (5) Å between the phenyl ring and the benzene ring of the chromene unit of neighbouring mol-ecules. In addition, the stacked mol-ecules exhibit inter- and intra-molecular O-H⋯O hydrogen bonds, including the uncoordinated water mol-ecules.

| S-EPMC2959999 | biostudies-literature

Dimethyl 2,2'-[(4-oxo-2-phenyl-4H-chromene-5,7-di-yl)di-oxy]diacetate: a less densely packed polymorph.

Project description:The title mol-ecule, C(21)H(18)O(8), crystallizes in two crystal polymorphs, see also Nallasivam, Nethaji, Vembu & Jaswant [Acta Cryst. (2009), E65, o312-o313]. The main difference between the two polymorphs is in the conformation of the oxomethyl-acetate groups with regard to the almost planar [total puckering amplitude 0.047?(2)?Å] chromene ring. In the title compound, the best planes of the oxomethyl-acetate groups through the non-H atoms are almost perpendicular to the chromene ring [making dihedral angles of 89.61?(6) and 80.59?(5)°], while in the second polymorph the mol-ecules are close to planar. Both crystal structures are stabilized by C-H?O.

| S-EPMC2968320 | biostudies-literature

2-(5,7-Dimeth-oxy-4-oxo-4H-chromen-2-yl)phenyl 4-toluene-sulfonate.

Project description:In the crystal structure of the title compound, C(24)H(20)O(7)S, the chromone system makes a dihedral angle of 37.32 (7)° with the adjacent benzene ring. The chromone ring system and the tolyl ring are almost parallel, with a dihedral angle of 4.56 (9)°. The tolyl ring is twisted at an angle of 41.75 (6)° with respect to the benzene ring. Weak intra- and inter-molecular C-H⋯O inter-actions are observed.

| S-EPMC2962194 | biostudies-literature

Dimethyl 2,2'-[(4-oxo-2-phenyl-4H-chromene-5,7-diyl)dioxy]diacetate: a more densely packed polymorph.

Project description:The title mol-ecule, C(21)H(18)O(8), crystallizes in two crystal polymorphs, see also Nallasivam, Nethaji, Vembu & Jaswant [Acta Cryst. (2009), E65, o314-o315]. The mol-ecules of both polymorphs differ by the conformation of the oxomethyl-acetate groups. The title mol-ecules are rather planar compared to the mol-ecules of the other polymorph. In the title mol-ecule, one of the oxomethyl-acetate groups is disordered (occupancies of 0.6058/0.3942). The structures of both polymorphs are stabilized by C-H?O and C-H?? inter-actions. Due to the planarity of the title mol-ecules and similar inter-molecular inter-actions, the title mol-ecules are more densely packed than those of the other polymorph.

| S-EPMC2968396 | biostudies-literature

5,7-Dimeth-oxy-2-phenyl-4H-chromen-4-one.

Project description:The asymmetric unit of the title compound, C(17)H(14)O(4), contains two independent mol-ecules which differ in the relative orientations of the phenyl rings with repect to the essentially planar [maximum deviations of 0.029?(2) and 0.050?(2)?Å in the two mol-ecules] chromene fused-ring system, forming dihedral angles of 10.3?(5) and 30.86?(5)° in the two mol-ecules. The crystal structure is stabilized by weak C-H?O and C--H?? inter-actions, and ?-? stacking inter-actions.

| S-EPMC2968465 | biostudies-literature

6-Bromo-3-hydr-oxy-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid dimethyl-formamide disolvate.

Project description:In the title compound, C(16)H(9)BrO(5)·2C(3)H(7)NO, the chromene ring system is essentially planar. The two dimethyl-formamide solvent mol-ecules are linked by inter-molecular O-H?O hydrogen bonds to the 6-bromo-3-hydr-oxy-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid molecules.

| S-EPMC2962049 | biostudies-literature

5,7-Dihydr-oxy-3,6,8-trimethoxy-flavone.

Project description:The title compound (systematic name5,7-dihydr-oxy-3,6,8-trimeth-oxy-4H-chromen-4-one), C(18)H(16)O(7), is a flavone that was isolated from Ainsliaea henryi. There are two mol-ecules in the asymmetric unit, one of which has a disordered meth-oxy group [occupancy ratio 0.681 (9):0.319 (9)]. Both mol-ecules have an intra-molecular O-H⋯O hydrogen bond. In the crystal, mol-ecules are linked into O-H⋯O hydrogen-bonded chains parallel to [110].

| S-EPMC2971965 | biostudies-literature

3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid.

Project description:In the title compound, C(17)H(12)O(4), the chromene unit is approximately planar, the maximum deviation from the mean plane being 0.0166 Å. The attached phenyl ring makes a dihedral angle of 53.2 (1)° with the fused ring system. The packing of the mol-ecules in the crystal structure is governed by C-H⋯O and O-H⋯O hydrogen-bonding inter-actions.

| S-EPMC2961157 | biostudies-literature

Crystal structure of 4-oxo-4H-chromene-3-carb-oxy-lic acid.

Project description:In the title compound, C10H6O4, also known as 3-carb-oxy-chromone, the non-H atoms of the chromone ring are essentially coplanar (r.m.s. deviation = 0.0057 Å), with the maximum deviation from their least-squares plane [0.011 (2) Å] being for a pyran C atom. The dihedral angle between the fused ring and plane of the carb-oxy group is 3.06 (2)°. An intra-molecular hydrogen bond is formed between the ring carbonyl O atom and the carb-oxy O-H atom, closing an S(6) loop. In the crystal, mol-ecules are assembled by stacking inter-actions [centroid-centroid distance between the benzene and pyran rings = 3.844 (3) Å] and C-H⋯O hydrogen bonds, generating a three-dimensional network. Short contacts are also observed between the carb-oxy O and C atoms [C=O⋯C=O = 3.002 (3) Å].

| S-EPMC4571407 | biostudies-literature

6-Methyl-4-oxo-4H-chromene-3-carbaldehyde.

Project description:In the title compound, C(11)H(8)O(3), the benzopyran-4-one or chromone ring system is almost planar, with a maximum deviation of 0.045?(2)?Å. The crystal structure is stablized by ?-? inter-actions between the benzene and pyran rings of inversion-related mol-ecules stacked along the b axis, with a centroid-centroid distance of 3.5463?(12)?Å

| S-EPMC3470266 | biostudies-literature

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