Crystal structure of ivermectin hemihydrate ethanolate, (C48H74O14)(H2O)0.5(C2H5OH)0.82

The crystal structure of ivermectin hemihydrate ethanolate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Ivermectin hemihydrate ethanolate crystallizes in space group C2 (#5) with a = 40.9374(10), b = 9.26951(6), c = 14.9488(2) Å, β = 73.047(1)°, V = 5426.12(8) Å3, and Z = 4. The structure consists of layers of ivermectin molecules parallel to the bc-plane. The water and ethanol molecules reside in small voids in the structure. The water molecule, the ethanol molecule, and hydroxyl groups act as donors in O–H⋯O hydrogen bonds. Several C–H⋯O hydrogen bonds were detected. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™.

Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate

The title solvated bimetallic complex, [Cd2Cl4(C13H17N3)2]·C2H5OH, comprises two Cd2+ metal ions linked by a pair of μ2 Cl− ions. The coordination sphere around each Cd2+ ion is completed by three N atoms of a tridentate 8-[2-(dimethylamino)ethylamino]quinoline ligand and another chloride ion to form a distorted fac-CdN3Cl3 octahedron. The ethanol molecule is both an acceptor of an N—H...O and a donor of an O—H...Cl hydrogen bonds to its adjacent complex unit. In the crystal, weak aromatic π–π stacking is observed.

Dimethyl 3,3′-[(4-nitrophenyl)methylene]bis(1H-indole-2-carboxylate) ethanol hemisolvate

There are two main molecules in asymmetric unit of the title compound, C27H21N3O6·0.5C2H5OH. In both, the indole ring systems are approximately perpendicular to each other, at dihedral angles of 69.3 (5) and 82.8(4)°. In the crystal, molecules are linked by N—H...O and O—H...O hydrogen bonds into a three-dimensional supramolecular architecture. The solvent ethanol molecule acts as a donor, forming an O—H...O hydrogen bond, reinforcing the structure.

Febuxostat ethanol monosolvate

The title compound, 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ethanol monosolvate, C16H16N2O3S·C2H6O, (I), displays intermolecular O—H...O and O—H...N bonds in which the carboxyl group of the febuxostat molecule and the hydroxyl group of the ethanol molecule serve as hydrogen-bond donor sites. These interactions result in a helical hydrogen-bonded chain structure. The title structure is isostructural with a previously reported methanol analogue.

Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ3-oxido-heptamanganese(II,III) ethanol octasolvate

Our work in the area of synthesis of polynuclear manganese complexes and their magnetic properties led to the synthesis and crystallization of the title compound, [Mn7(C8H9NO3)4(C8H10NO3)4(C2H5O)2(C7H5O2)2O2]·8C2H5OH. Herein, we report the molecular and crystal structure of the title compound, which was synthesized by the reaction of Mn(C6H5COO)2 with pyridoxine (PNH2, C8H11NO3) followed by the addition of tetramethylammonium hydroxide (TMAOH). The core of this centrosymmetric complex is a cage-like structure consisting of six MnIII ions and one MnII ion bound together through Mn—O bonds. The compound crystallizes in hydrogen-bonded layers formed by O—H...N hydrogen bonds involving the aromatic amine group of the ligand PN2− with the neighboring O atoms from the PNH− ligand. The crystal structure has large voids present in which highly disordered solvent molecules (ethanol) sit. A solvent mask was calculated and 181 electrons were found in a volume of 843 Å3 in one void per triclinic unit cell. This is consistent with the presence of seven ethanol molecules per formula unit, which accounts for 182 electrons per unit cell. Additionally, one ethanol molecule was found to be ordered in the crystal.

Lamotrigine ethanol monosolvate

Lamotrigine is an active pharmaceutical ingredient used as a treatment for epilepsy and psychiatric disorders. Single crystals of an ethanolate solvate, C9H7Cl2N5·C2H5OH, were produced by slow evaporation of a saturated solution from anhydrous ethanol. Within the crystal structure, the lamotrigine molecules form dimers through N—H...N hydrogen bonds involving the amine N atoms in the ortho position of the triazine group. These dimers are linked into a tape motif through hydrogen bonds involving the amine N atoms in the para position. The ethanol and lamotrigine are present in a 1:1 ratio in the lattice with the ethyl group of the ethanol molecule exhibiting disorder with an occupancy ratio of 0.516 (14):0.484 (14).

Crystal structure of poly[tetra-μ-cyanido-ethanolbis(2-iodopyrazine)digold(I)iron(II)]

In the title polymeric complex, [Au2Fe(CN)4(C4H3IN2)2(C2H6O)]n, the FeIIcation is coordinated by two iodopyrazine molecules, one ethanol molecule and three dicyanoaurate anions in a distorted N5O octahedral geometry. In the crystal, the dicyanoaurate anions bridge the FeIIcations to form polymeric chains propagating along theb-axis direction. Stabilization of the crystal structure is provided by O—H...N hydrogen bonds and π–π stacking between parallel iodopyrazine rings of neighbouring chains, the centroid–centroid distances being 3.654 (10) and 3.658 (9) Å.