Crystal structure of (2E)-1-(4-hy-droxy-1-methyl-2-oxo-1,2-di-hydro-quinolin-3-yl)-3-(4-hy-droxy-3-meth-oxy-phen-yl)prop-2-en-1-one.

In the title compound, C20H17NO5, the dihedral angle between the mean plane of the di-hydro-quinoline ring system (r.m.s. deviation = 0.003 Å) and the benzene ring is 1.83 (11)°. The almost planar conformation is a consequence of an intra-molecular O-H⋯O hydrogen bond and the E configuration about the central C=C bond. In the crystal structure, O-H⋯O hydrogen bonds generate chains of mol-ecules along the [10-1] direction. These chains are linked via π-π inter-actions [inter-centroid distances are in the range 3.6410 (16)-3.8663 (17) Å].

Crystal structure of chlorido-{4,5-dimeth-oxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κC (1)}(piperidine-κN)platinum(II) ethanol monosolvate.

In the title compound, [Pt(C11H13O2)Cl(C5H11N)]·C2H5OH, the Pt(II) cation is penta-coordinated in a distorted square-planar geometry. In the crystal, inversion dimers showing C-H⋯Cl and C-H⋯π inter-actions are further stacked in columns along the a axis via C-H⋯π inter-actions. The ethanol solvate mol-ecule inter-acts with neighbouring meth-oxy groups of methyl-eugenol through O-H⋯O hydrogen bonds.

Crystal structure of (1Z)-1-(4-chloro-benzyl-idene)-5-(4-meth-oxy-phen-yl)-3-oxopyrazolidin-1-ium-2-ide.

The title mol-ecule, C17H15ClN2O2, is L-shaped with the 4-chloro-benzyl-idene ring almost coplanar with the planar pyrazolidine ring (r.m.s. deviation = 0.020 Å), making a dihedral angle of 4.83 (17)°. The 4-meth-oxy-phenyl ring is almost normal to the mean plane of the pyrazolidine ring and the 4-chloro-benzyl-idene ring, with dihedral angles of 87.36 (17) and 89.23 (16)°, respectively. The pyrazolidine ring occurs in the betaine form with a Z configuration for the exocyclic C=N bond. In the crystal, C-H⋯O and C-H⋯π inter-actions generate ribbons of mol-ecules along [1-10].

Isolation, pharmacological activity and structure determination of physalin B and 5ß,6ß-epoxyphysalin B isolated from Congolese Physalis angulata L.

Physalis angulata L., an annual herb from the Solanaceae family, is widely used in popular medicine in tropical countries to treat a variety of diseases. Two products, (X) and (Y), were isolated from a crude CH2Cl2 extract of dried Congolese Physalis angulata L. plants and crystallized from acetone for structure elucidation. Compound (X) corresponds to a physalin B dimer acetone solvate hydrate (2C28H30O9·C3H6O·0.22H2O), while compound (Y) crystallizes as a mixed crystal containing two physalin B molecules which overlap with 5ß,6ß-epoxyphysalin B, also known as physalin F, and one acetone molecule in the asymmetric unit (1.332C28H30O9·0.668C28H30O10·C3H6O). Antiplasmodial activity, cytotoxic activity and selectivity indices were determined for crude extracts and the two isolated products (X) and (Y).

N-tert-butyl-N'-[5-cyano-2-(4-methylphenoxy)phenylsulfonyl]urea, a new TXA2 receptor antagonist.

The title compound, C19H21N3O4S, crystallizes in the space group P2/c with two molecules in the asymmetric unit. The conformation of both molecules is very similar and is mainly determined by an intramolecular N-H∙∙∙O hydrogen bond between a urea N atom and a sulfonyl O atom. The O and second N atom of the urea groups are involved in dimer formation via N-H∙∙∙O hydrogen bonds. The intramolecular hydrogen-bonding motif and conformation of the C-SO2-NH(C=O)-NH-C fragment are explored and compared using the Cambridge Structural Database and theoretical calculations. The crystal packing is characterized by π-π stacking between the 5-cyanobenzene rings.

Redetermination of {5-[(7-chloro-quinolinium-4-yl)amino]-2-hy-droxy-benz-yl}diethyl-ammonium dichloride dihydrate.

THE STRUCTURE OF THE TITLE COMPOUND (COMMON NAME: amodiaquinium dichloride dihydrate), C(20)H(24)ClN(3)O(2) (+)·2Cl(-)·2H(2)O, was previously determined from powder diffraction data [Llinàs et al. (2006 ▶). Acta Cryst. E62, o4196-o4199]. It has now been refined from diffractometer data to a significantly higher precision. The dihedral angle between the quinoline and benzene rings is 54.57 (6)°. The central amino N atom inter-acts more strongly with the quinoline ring than with the benzene ring, as indicated by the shorter C-N bond length [1.341 (2) Šcompared to 1.431 (2) Å]. In the crystal, mol-ecules are packed into a three-dimensional network/supra-molecular structure through hydrogen bonds between the amodiaquinium cations, chloride anions and water mol-ecules.

Redetermination of bis-{(1S,2S,4S,5R)-2-[(R)-hy-droxy(6-meth-oxy-4-quinol-yl)meth-yl]-5-vinyl-quinuclidinium} sulfate dihydrate.

The structure of the title compound, known as quinine sulfate dihydrate, 2C(20)H(25)N(2)O(2) (+)·SO(4) (2-)·2H(2)O, was previously reported by Mendel [Proc. K. Ned. Akad. Wet. (1955), 58, 132-134], but only the [010] projection was determined. Hence, we have redetermined its crystal structure at 100 K using three-dimensional data. The asymmetric unit consists of a quininium cation, viz. (R)-(6-meth-oxy-quinolinium-4-yl)[(1S,2S,4S,5R)-5-vinyl-quinuclid-in-ium-2-yl]methanol, one half of a sulfate anion and a water mol-ecule. The S atom occupies a special position on a twofold axis. The packing is characterized by infinite columns, consisting of sulfate anions and water mol-ecules, linked through hydrogen bonds along the b axis, and further stabilized by hydrogen bonds to quininium cations. The quininium cations inter-act further through C-H⋯O and C-H⋯π inter-actions.