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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.

ABSTRACT: 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.

SUBMITTER: Liu B

PROVIDER: S-EPMC2959999 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description: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.

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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.

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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.

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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.

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