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Febuxostat ethanol monosolvate.

ABSTRACT: The title compound, 2-(3-cyano-4-iso-but-oxyphen-yl)-4-methyl-1,3-thia-zole-5-car-b-oxy-lic acid ethanol monosolvate, C₁₆H₁₆N₂O₃S·C₂H₆O, (I), displays inter-molecular O-H⋯O and O-H⋯N bonds in which the carboxyl group of the febuxostat mol-ecule and the hydroxyl group of the ethanol mol-ecule serve as hydrogen-bond donor sites. These inter-actions result in a helical hydrogen-bonded chain structure. The title structure is isostructural with a previously reported methanol analogue.

SUBMITTER: Gelbrich T

PROVIDER: S-EPMC7273979 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Lamotrigine ethanol monosolvate.

Project description:Lamotrigine is an active pharmaceutical ingredient used as a treatment for epilepsy and psychiatric disorders. Single crystals of an ethano-late solvate, C9H7Cl2N5·C2H5OH, were produced by slow evaporation of a saturated solution from anhydrous ethanol. Within the crystal structure, the lamotrigine mol-ecules 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 mol-ecule exhibiting disorder with an occupancy ratio of 0.516 (14):0.484 (14).

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Oleanolic acid ethanol monosolvate.

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(-)-Norfluoro-curarine ethanol monosolvate.

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1,10-Phenanthroline-5,6-dione ethanol monosolvate.

Project description:In the title compound, C12H6N2O2·C2H5OH, the mol-ecule of the 1,10-phenanthroline-5,6-dione is approximately planar, with a maximum deviation of 0.051?(1)?Å. In the crystal, mol-ecules are linked by O-H?N and weak C-H?O hydrogen bonds, forming supra-molecular chains propagating along [110]. ?-? stacking inter-actions are observed between the pyridine rings of neighbouring chains, the centroid-centroid separations being 3.6226?(11) and 3.7543?(11)?Å.

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Project description:Two formula units of the title compound, 2-H(3)N-closo-1-CB(11)H(11)·CH(3)CH(2)OH or CH(14)B(11)N·C(2)H(5)OH, form a ring motif of R(4) (2)(8) type in the solid state that surrounds a crystallographic center of symmetry. The ring motif is a result of N-H⋯O hydrogen bonds. In contrast to many structures of {closo-1-CB(11)} clusters, the assignment of the position of the cluster C atom in the structure of the title compound is unambigious. The relatively long B-N bond length [1.5396 (10) Å] documents the absence of any B-N π-inter-action in the title compound although this was observed for a related 2-amino-carba-closo-dodeca-borate.

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Project description:IN THE TITLE COMPOUND [SYSTEMATIC NAME: rac-1-benzyl-5-bromo-3-hy-droxy-3-(2-imino-3-methyl-5-oxoimidazolidin-4-yl)-2,3-dihydro-1H-indol-2-one ethanol monosolvate], C(19)H(17)BrN(4)O(3)·C(2)H(5)OH, which crystallized as a racemate (RR and SS), the isatin ring is almost planar, with an r.m.s. deviations from the mean plane of 0.0276 (14) Å. The phenyl ring of the benzyl group makes a dihedral angle with the mean plane of the isatin ring of 87.40 (5)° and the dihedral angle between the imidazole and isatin rings is 58.56 (7)°. In the crystal, mol-ecules are linked into two-dimensional pleated-sheet networks in the ac plane formed by O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds; within these sheets there are R(4) (4)(10) rings that involve three mol-ecules of the title compound and a single ethanol solvent mol-ecule. In addition, there are π-π inter-actions between inversion-related benzyl groups, with an inter-planar spacing of 3.444 (3) Å.

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3,3'-Dibromo-6,6'-dimethoxy-biphenyl-2,2'-dicarboxylic acid ethanol monosolvate.

Project description:In the title compound, C(16)H(12)Br(2)O(6)·C(2)H(5)OH, the two benzene rings are twisted by 80.64?(5)° and the carboxyl groups form dihedral angles of 72.48?(3) and 89.41?(2)° with the corresponding benzene rings. In the crystal structure, the biphenyl mol-ecules are connected by inter-molecular O-H?O and O-H?Br hydrogen bonds, resulting in a chain along the b axis.

| S-EPMC2979244 | biostudies-literature

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N,N-Di-methyl-dehydro-abietyl-ammonium chloride ethanol monosolvate.

Project description:The title compound {systematic name: 1-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa-hydro-phenan-thren-1-yl]-N,N-di-methyl-methanaminium chloride ethanol monosolvate}, C22H36N(+)·Cl(-)·C2H6O, was synthesized from dehydroabietylamine by N-methyl-ation with formaldehyde/formic acid and transformation into the hydro-chloride. The de-hydro-abietyl moiety exhibits the usual conformation with the two cyclo-hexane rings in chair and half-chair conformations and a trans-ring junction. The crystal structure is built up from columns of the de-hydro-abietyl moieties stacked along the a axis. These columns are held together by the chloride ions via N-H⋯Cl and C-H⋯Cl inter-actions, which establish a two-dimensional network parallel to (010). The ethanol solvent mol-ecules are located between the columns and anchored via O-H⋯Cl hydrogen bonds.

| S-EPMC3685098 | biostudies-literature

Tris(1,10-phenanthrolin-1-ium) hexa-cyanidoferrate(III) ethanol monosolvate trihydrate.

Project description:The asymmetric unit of the title complex, (C(12)H(9)N(2))(3)[Fe(CN)(6)]·C(2)H(5)OH·3H(2)O, consists of two half [Fe(CN)(6)](3-) anions located on inversion centers, three 1,10-phenanthrolin-1-ium cations, [Hphen](+), an ethanol and three water solvent mol-ecules. The average Fe-C and C-N bond lengths are 1.942?(6) and 1.154?(3)?Å, respectively, while the Fe-C-N angles deviate slightly from linearity with values ranging from 177.8?(2) to 179.7?(2)°. The Fe(III) atoms adopt a distorted octa-hedral geometry. All the species are linked through O-H?N, N-H?O and O-H?O hydrogen-bonding inter-actions, resulting in a three-dimensional supra-molecular network.

| S-EPMC3344416 | biostudies-literature

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